Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T85944 | Target Info | |||
| Target Name | Pseudomonas UDP-3-O-acyl-GlcNAc deacetylase (Pseudo lpxC) | ||||
| Synonyms | Pseudo UDP-3-O-acyl-GlcNAc deacetylase; EnvA protein | ||||
| Target Type | Preclinical Target | ||||
| Gene Name | Pseudo lpxC | ||||
| Biochemical Class | Carbon-nitrogen hydrolase | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: ACHN-975 | Ligand Info | |||||
| Structure Description | Co-Crystal structure of P. aeruginosa LpxC-achn975 complex | PDB:6MOO | ||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [1] |
| PDB Sequence |
HHEGAGTIKQ
4 RTLKNIIRAT14 GVGLHSGEKV24 YLTLKPAPVD34 TGIVFSRTDL44 DPVVEIPARA 54 ENVGETTMST64 TLVKGDVKVD74 TVEHLLSAMA84 GLGIDNAYVE94 LSASEVPIMD 104 GSAGPFVFLI114 QSAGLQEQEA124 AKKFIRIKRE134 VSVEEGDKRA144 VFVPFDGFKV 154 SFEIDFDHPV164 FQQASVDFSS178 TSFVKEVSRA188 RTFGFMRDIE198 YLRSQNLALG 208 GSVENAIVVD218 ENRVLNEDGL228 RYEDEFVKHK238 ILDAIGDLYL248 LGNSLIGEFR 258 GFKSGHALNN268 QLLRTLIADK278 DAWEVVTFED288 ARTAPISYMR298 P |
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|
|
LEU18
3.871
HIS19
4.225
MET62
4.010
SER63
4.948
GLU77
2.274
HIS78
3.119
THR190
2.308
PHE191
3.150
GLY192
4.088
MET194
4.006
ILE197
3.753
LEU200
4.533
|
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| Ligand Name: BB-78485 | Ligand Info | |||||
| Structure Description | Crystal Structure of LpxC from Pseudomonas aeruginosa complexed with the potent BB-78485 inhibitor | PDB:2VES | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [2] |
| PDB Sequence |
MIKQRTLKNI
10 IRATGVGLHS20 GEKVYLTLKP30 APVDTGIVFS40 RTDLDPVVEI50 PARAENVGET 60 TMSTTLVKGD70 VKVDTVEHLL80 SAMAGLGIDN90 AYVELSASEV100 PIMDGSAGPF 110 VFLIQSAGLQ120 EQEAAKKFIR130 IKREVSVEEG140 DKRAVFVPFD150 GFKVSFEIDF 160 DHPVFRGRTQ170 QASVDFSSTS180 FVKEVSRART190 FGFMRDIEYL200 RSQNLALGGS 210 VENAIVVDEN220 RVLNEDGLRY230 EDEFVKHKIL240 DAIGDLYLLG250 NSLIGEFRGF 260 KSGHALNNQL270 LRTLIADKDA280 WEVVTFEDAR290 TAPI
|
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|
|
LEU18
3.149
MET62
2.985
SER63
3.705
THR75
3.941
GLU77
2.512
HIS78
3.243
ILE102
3.846
THR190
2.672
PHE191
3.257
GLY192
3.456
PHE193
3.830
|
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| Ligand Name: Methyl p-hydroxybenzoate | Ligand Info | |||||
| Structure Description | Crystal structure of P.aeruginosa LpxC in complex with inhibitor | PDB:7CIA | ||||
| Method | X-ray diffraction | Resolution | 1.92 Å | Mutation | Yes | [3] |
| PDB Sequence |
MIKQRTLKNI
10 IRATGVGLHS20 GEKVYLTLKP30 APVDTGIVFS40 RTDLDPVVEI50 PARAENVGET 60 TMSTTLVKGD70 VKVDTVEHLL80 SAMAGLGIDN90 AYVELSASEV100 PIMDGSAGPF 110 VFLIQSAGLQ120 EQEAAKKFIR130 IKREVSVEEG140 DKRAVFVPFD150 GFKVSFEIDF 160 DHPVFRGRTQ170 QASVDFSSTS180 FVKEVSRART190 FGFMRDIEYL200 RSQNLALGGS 210 VENAIVVDEN220 RVLNEDGLRY230 EDEFVKHKIL240 DAIGDLYLLG250 NSLIGEFRGF 260 KSGHALNNQL270 LRTLIADKDA280 WEVVTFEDAR290 TAPISYMRP
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .MPB or .MPB2 or .MPB3 or :3MPB;style chemicals stick;color identity;select .A:18 or .A:62 or .A:84 or .A:85 or .A:152 or .A:176 or .A:190 or .A:191 or .A:192 or .A:193 or .A:194 or .A:197 or .A:200 or .A:201 or .A:206 or .A:209 or .A:210 or .A:214 or .A:216 or .A:243 or .A:246 or .A:247 or .A:251 or .A:252 or .A:253 or .A:294 or .A:296; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU18
4.033
MET62
3.910
ALA84
3.756
GLY85
4.166
PHE152
3.344
PHE176
3.666
THR190
3.597
PHE191
3.897
GLY192
3.377
PHE193
4.042
MET194
3.541
ILE197
3.575
LEU200
4.085
ARG201
4.331
|
|||||
| Ligand Name: 1-(3-(4-chlorophenyl)propyl)-1H-imidazole | Ligand Info | |||||
| Structure Description | Crystal structure of P.aeruginosa LpxC in complex with inhibitor | PDB:7CID | ||||
| Method | X-ray diffraction | Resolution | 2.49 Å | Mutation | Yes | [3] |
| PDB Sequence |
MIKQRTLKNI
10 IRATGVGLHS20 GEKVYLTLKP30 APVDTGIVFS40 RTDLDPVVEI50 PARAENVGET 60 TMSTTLVKGD70 VKVDTVEHLL80 SAMAGLGIDN90 AYVELSASEV100 PIMDGSAGPF 110 VFLIQSAGLQ120 EQEAAKKFIR130 IKREVSVEEG140 DKRAVFVPFD150 GFKVSFEIDF 160 DHPVFRGRTQ170 QASVDFSSTS180 FVKEVSRART190 FGFMRDIEYL200 RSQNLALGGS 210 VENAIVVDEN220 RVLNEDGLRY230 EDEFVKHKIL240 DAIGDLYLLG250 NSLIGEFRGF 260 KSGHALNNQL270 LRTLIADKDA280 WEVVTF
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FZ3 or .FZ32 or .FZ33 or :3FZ3;style chemicals stick;color identity;select .A:18 or .A:19 or .A:62 or .A:63 or .A:75 or .A:77 or .A:78 or .A:190 or .A:191 or .A:192 or .A:197 or .A:200 or .A:201 or .A:206 or .A:209 or .A:210 or .A:213 or .A:214 or .A:215 or .A:216 or .A:237 or .A:241 or .A:264; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU18
3.601
HIS19
4.697
MET62
3.677
SER63
4.889
THR75
4.342
GLU77
3.339
HIS78
3.255
THR190
3.679
PHE191
3.123
GLY192
3.626
ILE197
3.568
LEU200
4.292
|
|||||
| Ligand Name: N-[(2R)-1-(hydroxyamino)-3-methyl-3-(methylsulfonyl)-1-oxobutan-2-yl]-4-(6-hydroxyhexa-1,3-diyn-1-yl)benzamide | Ligand Info | |||||
| Structure Description | Co-Crystal structure of P. aeruginosa LpxC-50067 complex | PDB:6MO4 | ||||
| Method | X-ray diffraction | Resolution | 1.84 Å | Mutation | No | [1] |
| PDB Sequence |
HHHATIKQRT
6 LKNIIRATGV16 GLHSGEKVYL26 TLKPAPVDTG36 IVFCRTDLDP46 VVEIPARAEN 56 VGETTMSTTL66 VKGDVKVDTV76 EHLLSAMAGL86 GIDNAYVELS96 ASEVPIMDGS 106 AGPFVFLIQS116 AGLQEQEAAK126 KFIRIKREVS136 VEEGDKRAVF146 VPFDGFKVSF 156 EIDFDHPVFR166 TQQASVDFTS180 FVKEVSRART190 FGFMRDIEYL200 RSQNLALGGS 210 VENAIVVDEN220 RVLNEDGLRY230 EDEFVKHKIL240 DAIGDLYLLG250 NSLIGEFRGF 260 KSGHALNNQL270 LRTLIADKDA280 WEVVTFEDAR290 TAPISYMRP
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .JWM or .JWM2 or .JWM3 or :3JWM;style chemicals stick;color identity;select .A:18 or .A:19 or .A:62 or .A:63 or .A:77 or .A:78 or .A:190 or .A:191 or .A:192 or .A:194 or .A:197 or .A:200 or .A:201 or .A:206 or .A:209 or .A:210 or .A:211 or .A:214 or .A:216 or .A:237 or .A:238 or .A:241 or .A:264; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU18
3.729
HIS19
3.397
MET62
3.263
SER63
4.626
GLU77
2.451
HIS78
3.261
THR190
2.624
PHE191
3.335
GLY192
3.923
MET194
4.317
ILE197
3.549
LEU200
4.177
|
|||||
| Ligand Name: [hydroxy-[(1S)-1-methylsulfanyl-2-[5-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]benzotriazol-1-yl]ethyl]amino]methanol | Ligand Info | |||||
| Structure Description | Crystal Structure of P. aeruginosa LpxC with N-Hydroxyformamide inhibitor 19 | PDB:7K99 | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [4] |
| PDB Sequence |
MIKQRTLKNI
10 IRATGVGLHS20 GEKVYLTLKP30 APVDTGIVFC40 RTDLDPVVEI50 PARAENVGET 60 TMSTTLVKGD70 VKVDTVEHLL80 SAMAGLGIDN90 AYVELSASEV100 PIMDGSAGPF 110 VFLIQSAGLQ120 EQEAAKKFIR130 IKREVSVEEG140 DKRAVFVPFD150 GFKVSFEIDF 160 DHPVFRGRTQ170 QASVDFSSTS180 FVKEVSRART190 FGFMRDIEYL200 RSQNLALGGS 210 VENAIVVDEN220 RVLNEDGLRY230 EDEFVKHKIL240 DAIGDLYLLG250 NSLIGEFRGF 260 KSGHALNNQL270 LRTLIADKDA280 WEVVTFEDAR290 TAPISYMRP
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .W4M or .W4M2 or .W4M3 or :3W4M;style chemicals stick;color identity;select .A:18 or .A:19 or .A:62 or .A:63 or .A:75 or .A:77 or .A:78 or .A:102 or .A:190 or .A:191 or .A:192 or .A:197 or .A:200 or .A:201 or .A:206 or .A:209 or .A:210 or .A:211 or .A:214 or .A:216 or .A:223 or .A:237 or .A:241 or .A:264; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU18
3.485
HIS19
3.433
MET62
3.011
SER63
4.398
THR75
3.399
GLU77
2.852
HIS78
3.343
ILE102
3.884
THR190
2.644
PHE191
3.650
GLY192
4.492
ILE197
3.191
|
|||||
| Ligand Name: N-hydroxy-N-[(1S)-2-{5-[(4-{[2-(hydroxymethyl)-1H-imidazol-1-yl]methyl}phenyl)ethynyl]-1H-benzotriazol-1-yl}-1-(methylsulfanyl)ethyl]formamide | Ligand Info | |||||
| Structure Description | Crystal Structure of P. aeruginosa LpxC with N-Hydroxyformamide inhibitor | PDB:7K9A | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [4] |
| PDB Sequence |
MIKQRTLKNI
10 IRATGVGLHS20 GEKVYLTLKP30 APVDTGIVFC40 RTDLDPVVEI50 PARAENVGET 60 TMSTTLVKGD70 VKVDTVEHLL80 SAMAGLGIDN90 AYVELSASEV100 PIMDGSAGPF 110 VFLIQSAGLQ120 EQEAAKKFIR130 IKREVSVEEG140 DKRAVFVPFD150 GFKVSFEIDF 160 DHPVFRGRTQ170 QASVDFSSTS180 FVKEVSRART190 FGFMRDIEYL200 RSQNLALGGS 210 VENAIVVDEN220 RVLNEDGLRY230 EDEFVKHKIL240 DAIGDLYLLG250 NSLIGEFRGF 260 KSGHALNNQL270 LRTLIADKDA280 WEVVTFEDAR290 TAPISYMRP
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .W4P or .W4P2 or .W4P3 or :3W4P;style chemicals stick;color identity;select .A:18 or .A:19 or .A:62 or .A:63 or .A:75 or .A:77 or .A:78 or .A:102 or .A:190 or .A:191 or .A:192 or .A:194 or .A:197 or .A:200 or .A:201 or .A:206 or .A:209 or .A:210 or .A:211 or .A:214 or .A:216 or .A:237 or .A:241 or .A:264; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU18
3.523
HIS19
3.594
MET62
3.218
SER63
4.420
THR75
3.368
GLU77
2.911
HIS78
3.177
ILE102
3.976
THR190
2.562
PHE191
3.549
GLY192
4.385
MET194
4.328
|
|||||
| Ligand Name: (2R)-4-{4-[4-(benzyloxy)-2-fluorophenyl]-2-oxopyridin-1(2H)-yl}-N-hydroxy-2-methyl-2-(methylsulfonyl)butanamide | Ligand Info | |||||
| Structure Description | Crystal structure of LpxC from Pseudomonas aeruginosa in complex with ligand PT802 | PDB:6E54 | ||||
| Method | X-ray diffraction | Resolution | 1.65 Å | Mutation | No | [5] |
| PDB Sequence |
SMIKQRTLKN
9 IIRATGVGLH19 SGEKVYLTLK29 PAPVDTGIVF39 CRTDLDPVVE49 IPARAENVGE 59 TTMSTTLVKG69 DVKVDTVEHL79 LSAMAGLGID89 NAYVELSASE99 VPIMDGSAGP 109 FVFLIQSAGL119 QEQEAAKKFI129 RIKREVSVEE139 GDKRAVFVPF149 DGFKVSFEID 159 FDHPVFRGRT169 QQASVDFSST179 SFVKEVSRAR189 TFGFMRDIEY199 LRSQNLALGG 209 SVENAIVVDE219 NRVLNEDGLR229 YEDEFVKHKI239 LDAIGDLYLL249 GNSLIGEFRG 259 FKSGHALNNQ269 LLRTLIADKD279 AWEVVTFEDA289 RTAPISYMRP299 |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .JCG or .JCG2 or .JCG3 or :3JCG;style chemicals stick;color identity;select .A:18 or .A:19 or .A:62 or .A:63 or .A:77 or .A:78 or .A:190 or .A:191 or .A:192 or .A:193 or .A:194 or .A:196 or .A:197 or .A:200 or .A:201 or .A:206 or .A:209 or .A:210 or .A:214 or .A:216 or .A:223 or .A:237 or .A:238 or .A:241 or .A:264; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU18
3.596
HIS19
3.641
MET62
3.338
SER63
4.574
GLU77
2.374
HIS78
2.977
THR190
2.693
PHE191
3.310
GLY192
3.416
PHE193
3.225
MET194
3.321
ASP196
4.661
ILE197
3.613
|
|||||
| Ligand Name: (2S)-4-{4-[4-(benzyloxy)-2-fluorophenyl]-2-oxopyridin-1(2H)-yl}-N-hydroxy-2-methyl-2-(methylsulfonyl)butanamide | Ligand Info | |||||
| Structure Description | Crystal structure of LpxC from Pseudomonas aeruginosa in complex with ligand PT802 | PDB:6E54 | ||||
| Method | X-ray diffraction | Resolution | 1.65 Å | Mutation | No | [5] |
| PDB Sequence |
SMIKQRTLKN
9 IIRATGVGLH19 SGEKVYLTLK29 PAPVDTGIVF39 CRTDLDPVVE49 IPARAENVGE 59 TTMSTTLVKG69 DVKVDTVEHL79 LSAMAGLGID89 NAYVELSASE99 VPIMDGSAGP 109 FVFLIQSAGL119 QEQEAAKKFI129 RIKREVSVEE139 GDKRAVFVPF149 DGFKVSFEID 159 FDHPVFRGRT169 QQASVDFSST179 SFVKEVSRAR189 TFGFMRDIEY199 LRSQNLALGG 209 SVENAIVVDE219 NRVLNEDGLR229 YEDEFVKHKI239 LDAIGDLYLL249 GNSLIGEFRG 259 FKSGHALNNQ269 LLRTLIADKD279 AWEVVTFEDA289 RTAPISYMRP299 |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .HUM or .HUM2 or .HUM3 or :3HUM;style chemicals stick;color identity;select .A:18 or .A:19 or .A:62 or .A:63 or .A:77 or .A:78 or .A:190 or .A:191 or .A:192 or .A:193 or .A:194 or .A:197 or .A:200 or .A:201 or .A:206 or .A:209 or .A:210 or .A:213 or .A:214 or .A:216 or .A:223 or .A:237 or .A:238 or .A:241 or .A:264; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU18
3.619
HIS19
3.771
MET62
2.600
SER63
3.921
GLU77
2.304
HIS78
3.130
THR190
2.633
PHE191
3.309
GLY192
3.651
PHE193
3.524
MET194
3.461
ILE197
3.511
LEU200
3.883
|
|||||
| Ligand Name: (2R)-4-[4-(2-fluoro-4-methoxyphenyl)-2-oxopyridin-1(2H)-yl]-N-hydroxy-2-methyl-2-(methylsulfonyl)butanamide | Ligand Info | |||||
| Structure Description | Crystal structure of LpxC from Pseudomonas aeruginosa in complex with PF-5081090 | PDB:5UPG | ||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | No | [6] |
| PDB Sequence |
SMIKQRTLKN
9 IIRATGVGLH19 SGEKVYLTLK29 PAPVDTGIVF39 CRTDLDPVVE49 IPARAENVGE 59 TTMSTTLVKG69 DVKVDTVEHL79 LSAMAGLGID89 NAYVELSASE99 VPIMDGSAGP 109 FVFLIQSAGL119 QEQEAAKKFI129 RIKREVSVEE139 GDKRAVFVPF149 DGFKVSFEID 159 FDHPVFRGRT169 QQASVDFSST179 SFVKEVSRAR189 TFGFMRDIEY199 LRSQNLALGG 209 SVENAIVVDE219 NRVLNEDGLR229 YEDEFVKHKI239 LDAIGDLYLL249 GNSLIGEFRG 259 FKSGHALNNQ269 LLRTLIADKD279 AWEVVTFEDA289 RTAPISYMRP299 |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .8GJ or .8GJ2 or .8GJ3 or :38GJ;style chemicals stick;color identity;select .A:18 or .A:19 or .A:62 or .A:63 or .A:77 or .A:78 or .A:84 or .A:85 or .A:152 or .A:176 or .A:177 or .A:178 or .A:179 or .A:180 or .A:181 or .A:182 or .A:190 or .A:191 or .A:192 or .A:193 or .A:194 or .A:197 or .A:200 or .A:201 or .A:206 or .A:209 or .A:210 or .A:213 or .A:214 or .A:216 or .A:237 or .A:238 or .A:241 or .A:243 or .A:246 or .A:247 or .A:251 or .A:252 or .A:253 or .A:264 or .A:294 or .A:295 or .A:296 or .A:297; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU18
3.639
HIS19
3.587
MET62
3.075
SER63
4.587
GLU77
2.378
HIS78
3.110
ALA84
3.375
GLY85
3.315
PHE152
3.211
PHE176
3.208
SER177
3.475
SER178
3.975
THR179
3.484
SER180
3.026
PHE181
3.204
VAL182
4.903
THR190
2.687
PHE191
3.434
GLY192
3.632
PHE193
3.456
MET194
3.841
ILE197
3.415
LEU200
3.789
ARG201
4.835
ALA206
4.118
GLY209
3.285
SER210
3.831
ASN213
4.460
ALA214
3.516
VAL216
3.607
HIS237
2.932
LYS238
3.024
ASP241
3.022
ILE243
4.145
LEU246
4.617
TYR247
4.123
ASN251
4.868
SER252
3.706
LEU253
3.019
HIS264
2.751
ILE294
3.482
SER295
3.245
TYR296
3.402
MET297
3.360
|
|||||
| Ligand Name: N-[(2s,3r)-3-Hydroxy-1-(Hydroxyamino)-1-Oxobutan-2-Yl]biphenyl-4-Carboxamide | Ligand Info | |||||
| Structure Description | Crystal Structure of the LpxC in complex with N-[(2S,3R)-3-HYDROXY-1-(HYDROXYAMINO)-1-OXOBUTAN-2-YL]BIPHENYL-4-CARBOXAMIDE inhibitor | PDB:4FW7 | ||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | Yes | [7] |
| PDB Sequence |
NAMIKQRTLK
8 NIIRATGVGL18 HSGEKVYLTL28 KPAPVDTGIV38 FSRTDLDPVV48 EIPARAENVG 58 ETTMSTTLVK68 GDVKVDTVEH78 LLSAMAGLGI88 DNAYVELSAS98 EVPIMDGSAG 108 PFVFLIQSAG118 LQEQEAAKKF128 IRIKREVSVE138 EGDKRAVFVP148 FDGFKVSFEI 158 DFDHPVFRGR168 TQQASVDFSS178 TSFVKEVSRA188 RTFGFMRDIE198 YLRSQNLALG 208 GSVENAIVVD218 ENRVLNEDGL228 RYEDEFVKHK238 ILDAIGDLYL248 LGNSLIGEFR 258 GFKSGHALNN268 QLLRTLIADK278 DAWEVVTFED288 ARTAPISYMR298 P |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .L63 or .L632 or .L633 or :3L63;style chemicals stick;color identity;select .A:18 or .A:19 or .A:62 or .A:63 or .A:77 or .A:78 or .A:190 or .A:191 or .A:192 or .A:197 or .A:200 or .A:201 or .A:206 or .A:209 or .A:210 or .A:211 or .A:213 or .A:214 or .A:215 or .A:216 or .A:237 or .A:238 or .A:241 or .A:264; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU18
4.025
HIS19
4.218
MET62
2.370
SER63
3.731
GLU77
2.393
HIS78
3.194
THR190
1.982
PHE191
2.773
GLY192
4.105
ILE197
3.537
LEU200
2.961
ARG201
2.645
|
|||||
| Ligand Name: N-[(2s,3r)-3-Hydroxy-1-(Hydroxyamino)-1-Oxobutan-2-Yl]-4-(Phenylethynyl)benzamide | Ligand Info | |||||
| Structure Description | Crystal Structure of the LpxC in complex with N-[(2S,3R)-3-HYDROXY-1-(HYDROXYAMINO)-1-OXOBUTAN-2-YL]-4-(PHENYLETHYNYL)BENZAMIDE inhibitor | PDB:4FW6 | ||||
| Method | X-ray diffraction | Resolution | 1.83 Å | Mutation | Yes | [8] |
| PDB Sequence |
AMIKQRTLKN
9 IIRATGVGLH19 SGEKVYLTLK29 PAPVDTGIVF39 SRTDLDPVVE49 IPARAENVGE 59 TTMSTTLVKG69 DVKVDTVEHL79 LSAMAGLGID89 NAYVELSASE99 VPIMDGSAGP 109 FVFLIQSAGL119 QEQEAAKKFI129 RIKREVSVEE139 GDKRAVFVPF149 DGFKVSFEID 159 FDHPVFRGRT169 QQASVDFSST179 SFVKEVSRAR189 TFGFMRDIEY199 LRSQNLALGG 209 SVENAIVVDE219 NRVLNEDGLR229 YEDEFVKHKI239 LDAIGDLYLL249 GNSLIGEFRG 259 FKSGHALNNQ269 LLRTLIADKD279 AWEVVTFEDA289 RTAPISYMRP299 |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .L59 or .L592 or .L593 or :3L59;style chemicals stick;color identity;select .A:18 or .A:19 or .A:62 or .A:63 or .A:77 or .A:78 or .A:190 or .A:191 or .A:192 or .A:197 or .A:200 or .A:201 or .A:206 or .A:207 or .A:209 or .A:210 or .A:211 or .A:214 or .A:215 or .A:216 or .A:237 or .A:238 or .A:241 or .A:264; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU18
4.126
HIS19
3.056
MET62
2.842
SER63
3.845
GLU77
2.430
HIS78
3.143
THR190
1.911
PHE191
2.639
GLY192
3.889
ILE197
3.467
LEU200
3.065
ARG201
2.701
|
|||||
| Ligand Name: N-[(1S)-2-(hydroxyamino)-1-(3-methoxy-1,1-dioxo-1lambda~6~-thietan-3-yl)-2-oxoethyl]-4-(6-hydroxyhexa-1,3-diyn-1-yl)benzamide | Ligand Info | |||||
| Structure Description | Co-Crystal structure of P. aeruginosa LpxC-50432 complex | PDB:6MOD | ||||
| Method | X-ray diffraction | Resolution | 1.85 Å | Mutation | No | [1] |
| PDB Sequence |
ATIKQRTLKN
9 IIRATGVGLH19 SGEKVYLTLK29 PAPVDTGIVF39 CRTDLDPVVE49 IPARAENVGE 59 TTMSTTLVKG69 DVKVDTVEHL79 LSAMAGLGID89 NAYVELSASE99 VPIMDGSAGP 109 FVFLIQSAGL119 QEQEAAKKFV129 RIKREVSVEE139 GDKRAVFVPF149 DGFKVSFEID 159 FDHPVFRTQQ171 ASVDFSSTSF181 VKEVSRARTF191 GFMRDIEYLR201 SQNLALGGSV 211 ENAIVVDENR221 VLNEDGLRYE231 DEFVKHKILD241 AIGDLYLLGN251 SLIGEFRGFK 261 SGHALNNQLL271 RTLIADKDAW281 EVVTFEDART291 APISYMRP
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .JWV or .JWV2 or .JWV3 or :3JWV;style chemicals stick;color identity;select .A:18 or .A:19 or .A:62 or .A:63 or .A:77 or .A:78 or .A:160 or .A:190 or .A:191 or .A:192 or .A:194 or .A:197 or .A:200 or .A:201 or .A:206 or .A:209 or .A:210 or .A:211 or .A:214 or .A:216 or .A:237 or .A:238 or .A:241 or .A:264; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU18
3.791
HIS19
3.561
MET62
3.263
SER63
4.475
GLU77
2.336
HIS78
3.322
PHE160
4.889
THR190
2.583
PHE191
3.242
GLY192
3.875
MET194
3.376
ILE197
3.687
|
|||||
| Ligand Name: N-[(2S)-1-(hydroxyamino)-3-methyl-3-{[(oxetan-3-yl)methyl]sulfonyl}-1-oxobutan-2-yl]-4-(6-hydroxyhexa-1,3-diyn-1-yl)benzamide | Ligand Info | |||||
| Structure Description | Co-Crystal structure of P. aeruginosa LpxC-50228 complex | PDB:6MO5 | ||||
| Method | X-ray diffraction | Resolution | 1.85 Å | Mutation | No | [1] |
| PDB Sequence |
HHHHATIKQR
5 TLKNIIRATG15 VGLHSGEKVY25 LTLKPAPVDT35 GIVFCRTDLD45 PVVEIPARAE 55 NVGETTMSTT65 LVKGDVKVDT75 VEHLLSAMAG85 LGIDNAYVEL95 SASEVPIMDG 105 SAGPFVFLIQ115 SAGLQEQEAA125 KKFVRIKREV135 SVEEGDKRAV145 FVPFDGFKVS 155 FEIDFDHPVF165 RRTQQASVDF176 SSTSFVKEVS186 RARTFGFMRD196 IEYLRSQNLA 206 LGGSVENAIV216 VDENRVLNED226 GLRYEDEFVK236 HKILDAIGDL246 YLLGNSLIGE 256 FRGFKSGHAL266 NNQLLRTLIA276 DKDAWEVVTF286 EDARTAPISY296 MRP |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .JWP or .JWP2 or .JWP3 or :3JWP;style chemicals stick;color identity;select .A:18 or .A:19 or .A:62 or .A:63 or .A:77 or .A:78 or .A:160 or .A:190 or .A:191 or .A:192 or .A:193 or .A:194 or .A:196 or .A:197 or .A:200 or .A:201 or .A:206 or .A:209 or .A:210 or .A:211 or .A:214 or .A:216 or .A:237 or .A:238 or .A:241 or .A:264; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU18
3.774
HIS19
3.369
MET62
3.310
SER63
4.792
GLU77
2.501
HIS78
3.215
PHE160
4.811
THR190
2.240
PHE191
2.232
GLY192
3.202
PHE193
3.058
MET194
3.100
ASP196
3.156
|
|||||
| Ligand Name: (2~{s})-3-Azanyl-2-[[(1~{r})-5-[2-[4-[[2-(Hydroxymethyl)imidazol-1-Yl]methyl]phenyl]ethynyl]-2,3-Dihydro-1~{h}-Inden-1-Yl]amino]-3-Methyl-~{n}-Oxidanyl-Butanamide | Ligand Info | |||||
| Structure Description | Crystal structure of Pseudomonas aeruginosa LpxC complexed with inhibitor | PDB:5N8C | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | Yes | [9] |
| PDB Sequence |
SMIKQRTLKN
9 IIRATGVGLH19 SGEKVYLTLK29 PAPVDTGIVF39 SRTDLDPVVE49 IPARAENVGE 59 TTMSTTLVKG69 DVKVDTVEHL79 LSAMAGLGID89 NAYVELSASE99 VPIMDGSAGP 109 FVFLIQSAGL119 QEQEAAKKFI129 RIKREVSVEE139 GDKRAVFVPF149 DGFKVSFEID 159 FDHPVFRGRT169 QQASVDFSST179 SFVKEVSRAR189 TFGFMRDIEY199 LRSQNLALGG 209 SVENAIVVDE219 NRVLNEDGLR229 YEDEFVKHKI239 LDAIGDLYLL249 GNSLIGEFRG 259 FKSGHALNNQ269 LLRTLIADKD279 AWEVVTFEDA289 RTAPISYMRP299 |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .8Q8 or .8Q82 or .8Q83 or :38Q8;style chemicals stick;color identity;select .A:18 or .A:19 or .A:62 or .A:63 or .A:77 or .A:78 or .A:190 or .A:191 or .A:192 or .A:194 or .A:197 or .A:198 or .A:200 or .A:201 or .A:206 or .A:209 or .A:210 or .A:211 or .A:214 or .A:216 or .A:237 or .A:238 or .A:241 or .A:264; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU18
3.557
HIS19
3.564
MET62
3.661
SER63
4.689
GLU77
2.511
HIS78
3.019
THR190
2.670
PHE191
3.533
GLY192
4.441
MET194
3.519
ILE197
3.286
GLU198
3.465
|
|||||
| Ligand Name: 4'-Bromo-N-[(2s,3r)-3-Hydroxy-1-(Hydroxyamino)-1-Oxobutan-2-Yl]biphenyl-4-Carboxamide | Ligand Info | |||||
| Structure Description | Crystal Structure of the LpxC in complex with 4'-BROMO-N-[(2S,3R)-3-HYDROXY-1-(HYDROXYAMINO)-1-OXOBUTAN-2-YL]BIPHENYL-4-CARBOXAMIDE inhibitor | PDB:4FW5 | ||||
| Method | X-ray diffraction | Resolution | 1.99 Å | Mutation | Yes | [10] |
| PDB Sequence |
NAMIKQRTLK
8 NIIRATGVGL18 HSGEKVYLTL28 KPAPVDTGIV38 FSRTDLDPVV48 EIPARAENVG 58 ETTMSTTLVK68 GDVKVDTVEH78 LLSAMAGLGI88 DNAYVELSAS98 EVPIMDGSAG 108 PFVFLIQSAG118 LQEQEAAKKF128 IRIKREVSVE138 EGDKRAVFVP148 FDGFKVSFEI 158 DFDHPVFRGR168 TQQASVDFSS178 TSFVKEVSRA188 RTFGFMRDIE198 YLRSQNLALG 208 GSVENAIVVD218 ENRVLNEDGL228 RYEDEFVKHK238 ILDAIGDLYL248 LGNSLIGEFR 258 GFKSGHALNN268 QLLRTLIADK278 DAWEVVTFED288 ARTAPISYMR298 P |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .L58 or .L582 or .L583 or :3L58;style chemicals stick;color identity;select .A:18 or .A:19 or .A:62 or .A:63 or .A:75 or .A:77 or .A:78 or .A:190 or .A:191 or .A:192 or .A:197 or .A:200 or .A:201 or .A:206 or .A:209 or .A:210 or .A:211 or .A:213 or .A:214 or .A:215 or .A:216 or .A:237 or .A:238 or .A:241 or .A:264; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU18
4.179
HIS19
3.958
MET62
2.567
SER63
3.740
THR75
4.514
GLU77
2.054
HIS78
2.870
THR190
2.047
PHE191
2.787
GLY192
4.067
ILE197
3.347
LEU200
3.033
ARG201
3.112
|
|||||
| Ligand Name: N-[(2s)-3-Amino-1-(Hydroxyamino)-1-Oxopropan-2-Yl]-4-(4-Phenylbuta-1,3-Diyn-1-Yl)benzamide | Ligand Info | |||||
| Structure Description | Crystal Structure of the LpxC in complex with N-[(2S)-3-AMINO-1-(HYDROXYAMINO)-1-OXOPROPAN-2-YL]-4-(4-PHENYLBUTA-1,3-DIYN-1-YL)BENZAMIDE inhibitor | PDB:4FW3 | ||||
| Method | X-ray diffraction | Resolution | 2.35 Å | Mutation | Yes | [11] |
| PDB Sequence |
SNAMIKQRTL
7 KNIIRATGVG17 LHSGEKVYLT27 LKPAPVDTGI37 VFSRTDLDPV47 VEIPARAENV 57 GETTMSTTLV67 KGDVKVDTVE77 HLLSAMAGLG87 IDNAYVELSA97 SEVPIMDGSA 107 GPFVFLIQSA117 GLQEQEAAKK127 FIRIKREVSV137 EEGDKRAVFV147 PFDGFKVSFE 157 IDFDHPVFRG167 RTQQASVDFS177 STSFVKEVSR187 ARTFGFMRDI197 EYLRSQNLAL 207 GGSVENAIVV217 DENRVLNEDG227 LRYEDEFVKH237 KILDAIGDLY247 LLGNSLIGEF 257 RGFKSGHALN267 NQLLRTLIAD277 KDAWEVVTFE287 DARTAPISYM297 RP |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .L52 or .L522 or .L523 or :3L52;style chemicals stick;color identity;select .A:18 or .A:19 or .A:62 or .A:63 or .A:75 or .A:77 or .A:78 or .A:190 or .A:191 or .A:192 or .A:194 or .A:197 or .A:200 or .A:201 or .A:206 or .A:209 or .A:210 or .A:211 or .A:214 or .A:215 or .A:216 or .A:237 or .A:238 or .A:241 or .A:264; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU18
4.024
HIS19
3.417
MET62
2.730
SER63
4.059
THR75
4.858
GLU77
2.457
HIS78
3.211
THR190
2.397
PHE191
2.746
GLY192
3.506
MET194
3.713
ILE197
4.235
LEU200
3.774
|
|||||
| Ligand Name: (2r)-N-Hydroxy-2-Methyl-2-(Methylsulfonyl)-4-(2-Oxo-4-Phenylpyridin-1(2h)-Yl)butanamide | Ligand Info | |||||
| Structure Description | UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase in complex with inhibitor | PDB:3UHM | ||||
| Method | X-ray diffraction | Resolution | 1.26 Å | Mutation | Yes | [12] |
| PDB Sequence |
MIKQRTLKNI
10 IRATGVGLHS20 GEKVYLTLKP30 APVDTGIVFS40 RTDLDPVVEI50 PARAENVGET 60 TMSTTLVKGD70 VKVDTVEHLL80 SAMAGLGIDN90 AYVELSASEV100 PIMDGSAGPF 110 VFLIQSAGLQ120 EQEAAKKFIR130 IKREVSVEEG140 DKRAVFVPFD150 GFKVSFEIDF 160 DHPVFRGRTQ170 QASVDFSSTS180 FVKEVSRART190 FGFMRDIEYL200 RSQNLALGGS 210 VENAIVVDEN220 RVLNEDGLRY230 EDEFVKHKIL240 DAIGDLYLLG250 NSLIGEFRGF 260 KSGHALNNQL270 LRTLIADKDA280 WEVVTFEDAR290 TAPISYMRP
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .RFN or .RFN2 or .RFN3 or :3RFN;style chemicals stick;color identity;select .A:18 or .A:19 or .A:62 or .A:63 or .A:77 or .A:78 or .A:190 or .A:191 or .A:192 or .A:193 or .A:197 or .A:200 or .A:206 or .A:209 or .A:210 or .A:214 or .A:216 or .A:237 or .A:238 or .A:241 or .A:264; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU18
3.608
HIS19
3.423
MET62
3.400
SER63
4.490
GLU77
2.475
HIS78
2.997
THR190
2.668
PHE191
3.413
GLY192
3.642
PHE193
4.570
ILE197
4.460
|
|||||
| Ligand Name: Guanidine | Ligand Info | |||||
| Structure Description | UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase in complex with inhibitor | PDB:3UHM | ||||
| Method | X-ray diffraction | Resolution | 1.26 Å | Mutation | Yes | [12] |
| PDB Sequence |
MIKQRTLKNI
10 IRATGVGLHS20 GEKVYLTLKP30 APVDTGIVFS40 RTDLDPVVEI50 PARAENVGET 60 TMSTTLVKGD70 VKVDTVEHLL80 SAMAGLGIDN90 AYVELSASEV100 PIMDGSAGPF 110 VFLIQSAGLQ120 EQEAAKKFIR130 IKREVSVEEG140 DKRAVFVPFD150 GFKVSFEIDF 160 DHPVFRGRTQ170 QASVDFSSTS180 FVKEVSRART190 FGFMRDIEYL200 RSQNLALGGS 210 VENAIVVDEN220 RVLNEDGLRY230 EDEFVKHKIL240 DAIGDLYLLG250 NSLIGEFRGF 260 KSGHALNNQL270 LRTLIADKDA280 WEVVTFEDAR290 TAPISYMRP
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GAI or .GAI2 or .GAI3 or :3GAI;style chemicals stick;color identity;select .A:197 or .A:200 or .A:201 or .A:205 or .A:206 or .A:207 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-[(1s,2r)-2-Hydroxy-1-(Hydroxycarbamoyl)propyl]-4-(4-Phenylbuta-1,3-Diyn-1-Yl)benzamide | Ligand Info | |||||
| Structure Description | Crystal Structure of the PSEUDOMONAS AERUGINOSA LpxC/LPC-009 complex | PDB:3P3E | ||||
| Method | X-ray diffraction | Resolution | 1.28 Å | Mutation | Yes | [13] |
| PDB Sequence |
MIKQRTLKNI
10 IRATGVGLHS20 GEKVYLTLKP30 APVDTGIVFS40 RTDLDPVVEI50 PARAENVGET 60 TMSTTLVKGD70 VKVDTVEHLL80 SAMAGLGIDN90 AYVELSASEV100 PIMDGSAGPF 110 VFLIQSAGLQ120 EQEAAKKFIR130 IKREVSVEEG140 DKRAVFVPFD150 GFKVSFEIDF 160 DHPVFRGRTQ170 QASVDFSSTS180 FVKEVSRART190 FGFMRDIEYL200 RSQNLALGGS 210 VENAIVVDEN220 RVLNEDGLRY230 EDEFVKHKIL240 DAIGDLYLLG250 NSLIGEFRGF 260 KSGHALNNQL270 LRTLIADKDA280 WEVVTFEDAR290 TAPISYM
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .3P3 or .3P32 or .3P33 or :33P3;style chemicals stick;color identity;select .A:18 or .A:19 or .A:62 or .A:63 or .A:75 or .A:77 or .A:78 or .A:190 or .A:191 or .A:192 or .A:197 or .A:200 or .A:201 or .A:206 or .A:209 or .A:210 or .A:211 or .A:214 or .A:216 or .A:237 or .A:238 or .A:241 or .A:264; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU18
3.012
HIS19
4.577
MET62
2.537
SER63
3.722
THR75
4.976
GLU77
2.570
HIS78
3.141
THR190
2.022
PHE191
3.224
GLY192
3.621
ILE197
2.871
LEU200
3.808
|
|||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: (Betas)-Nalpha-{4-[4-(4-Aminophenyl)buta-1,3-Diyn-1-Yl]benzoyl}-N,Beta-Dihydroxy-L-Tyrosinamide | Ligand Info | |||||
| Structure Description | Crystal structure of the Pseudomonas aeruginosa LPXC/LPC-050 complex | PDB:4LCG | ||||
| Method | X-ray diffraction | Resolution | 1.57 Å | Mutation | Yes | [14] |
| PDB Sequence |
MIKQRTLKNI
10 IRATGVGLHS20 GEKVYLTLKP30 APVDTGIVFS40 RTDLDPVVEI50 PARAENVGET 60 TMSTTLVKGD70 VKVDTVEHLL80 SAMAGLGIDN90 AYVELSASEV100 PIMDGSAGPF 110 VFLIQSAGLQ120 EQEAAKKFIR130 IKREVSVEEG140 DKRAVFVPFD150 GFKVSFEIDF 160 DHPVFRGRTQ170 QASVDFSSTS180 FVKEVSRART190 FGFMRDIEYL200 RSQNLALGGS 210 VENAIVVDEN220 RVLNEDGLRY230 EDEFVKHKIL240 DAIGDLYLLG250 NSLIGEFRGF 260 KSGHALNNQL270 LRTLIADKDA280 WEVVTFEDAR290 TAPISY
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .1WM or .1WM2 or .1WM3 or :31WM;style chemicals stick;color identity;select .A:18 or .A:19 or .A:62 or .A:63 or .A:77 or .A:78 or .A:160 or .A:190 or .A:191 or .A:192 or .A:193 or .A:196 or .A:197 or .A:200 or .A:201 or .A:206 or .A:209 or .A:210 or .A:211 or .A:214 or .A:216 or .A:237 or .A:238 or .A:241 or .A:264; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU18
3.918
HIS19
4.841
MET62
3.225
SER63
4.665
GLU77
2.396
HIS78
3.181
PHE160
4.136
THR190
2.541
PHE191
3.130
GLY192
4.418
PHE193
3.524
ASP196
4.576
ILE197
3.527
|
|||||
| Ligand Name: 4-[4-(4-Aminophenyl)buta-1,3-Diyn-1-Yl]-N-[(2s,3s)-4,4-Difluoro-3-Hydroxy-1-(Hydroxyamino)-3-Methyl-1-Oxobutan-2-Yl]benzamide | Ligand Info | |||||
| Structure Description | Crystal structure of the Pseudomonas aeruginosa LpxC/LPC-058 complex | PDB:5DRR | ||||
| Method | X-ray diffraction | Resolution | 1.59 Å | Mutation | Yes | [15] |
| PDB Sequence |
MIKQRTLKNI
10 IRATGVGLHS20 GEKVYLTLKP30 APVDTGIVFS40 RTDLDPVVEI50 PARAENVGET 60 TMSTTLVKGD70 VKVDTVEHLL80 SAMAGLGIDN90 AYVELSASEV100 PIMDGSAGPF 110 VFLIQSAGLQ120 EQEAAKKFIR130 IKREVSVEEG140 DKRAVFVPFD150 GFKVSFEIDF 160 DHPVFRGRTQ170 QASVDFSSTS180 FVKEVSRART190 FGFMRDIEYL200 RSQNLALGGS 210 VENAIVVDEN220 RVLNEDGLRY230 EDEFVKHKIL240 DAIGDLYLLG250 NSLIGEFRGF 260 KSGHALNNQL270 LRTLIADKDA280 WEVVTFEDAR290 TAPISY
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .5EN or .5EN2 or .5EN3 or :35EN;style chemicals stick;color identity;select .A:18 or .A:62 or .A:63 or .A:77 or .A:78 or .A:190 or .A:191 or .A:192 or .A:197 or .A:200 or .A:201 or .A:206 or .A:209 or .A:210 or .A:211 or .A:214 or .A:216 or .A:237 or .A:238 or .A:241 or .A:264; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU18
3.882
MET62
3.667
SER63
3.962
GLU77
2.386
HIS78
3.229
THR190
2.532
PHE191
3.280
GLY192
4.267
ILE197
3.545
LEU200
4.193
ARG201
4.000
|
|||||
| Ligand Name: (Betas)-Nalpha-{4-[4-(4-Aminophenyl)buta-1,3-Diyn-1-Yl]benzoyl}-N,Beta-Dihydroxy-Beta-Methyl-L-Tyrosinamide | Ligand Info | |||||
| Structure Description | Crystal structure of the Pseudomonas aeruginosa LPXC/LPC-051 complex | PDB:4LCH | ||||
| Method | X-ray diffraction | Resolution | 1.60 Å | Mutation | Yes | [14] |
| PDB Sequence |
MIKQRTLKNI
10 IRATGVGLHS20 GEKVYLTLKP30 APVDTGIVFS40 RTDLDPVVEI50 PARAENVGET 60 TMSTTLVKGD70 VKVDTVEHLL80 SAMAGLGIDN90 AYVELSASEV100 PIMDGSAGPF 110 VFLIQSAGLQ120 EQEAAKKFIR130 IKREVSVEEG140 DKRAVFVPFD150 GFKVSFEIDF 160 DHPVFRGRTQ170 QASVDFSSTS180 FVKEVSRART190 FGFMRDIEYL200 RSQNLALGGS 210 VENAIVVDEN220 RVLNEDGLRY230 EDEFVKHKIL240 DAIGDLYLLG250 NSLIGEFRGF 260 KSGHALNNQL270 LRTLIADKDA280 WEVVTFEDAR290 TAPISY
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .1WN or .1WN2 or .1WN3 or :31WN;style chemicals stick;color identity;select .A:18 or .A:62 or .A:63 or .A:77 or .A:78 or .A:190 or .A:191 or .A:192 or .A:193 or .A:196 or .A:197 or .A:200 or .A:201 or .A:206 or .A:209 or .A:210 or .A:211 or .A:214 or .A:216 or .A:237 or .A:238 or .A:241 or .A:264; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU18
3.593
MET62
2.815
SER63
4.522
GLU77
2.313
HIS78
3.267
THR190
2.497
PHE191
3.229
GLY192
4.111
PHE193
4.133
ASP196
4.173
ILE197
3.529
LEU200
4.495
|
|||||
| Ligand Name: Nalpha-{4-[4-(4-Aminophenyl)buta-1,3-Diyn-1-Yl]benzoyl}-N-Hydroxy-L-Histidinamide | Ligand Info | |||||
| Structure Description | Crystal structure of the Pseudomonas aeruginosa LPXC/LPC-014 complex | PDB:4LCF | ||||
| Method | X-ray diffraction | Resolution | 1.60 Å | Mutation | Yes | [14] |
| PDB Sequence |
MIKQRTLKNI
10 IRATGVGLHS20 GEKVYLTLKP30 APVDTGIVFS40 RTDLDPVVEI50 PARAENVGET 60 TMSTTLVKGD70 VKVDTVEHLL80 SAMAGLGIDN90 AYVELSASEV100 PIMDGSAGPF 110 VFLIQSAGLQ120 EQEAAKKFIR130 IKREVSVEEG140 DKRAVFVPFD150 GFKVSFEIDF 160 DHPVFRGRTQ170 QASVDFSSTS180 FVKEVSRART190 FGFMRDIEYL200 RSQNLALGGS 210 VENAIVVDEN220 RVLNEDGLRY230 EDEFVKHKIL240 DAIGDLYLLG250 NSLIGEFRGF 260 KSGHALNNQL270 LRTLIADKDA280 WEVVTFEDAR290 TAPISYMR
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .1WL or .1WL2 or .1WL3 or :31WL;style chemicals stick;color identity;select .A:18 or .A:62 or .A:63 or .A:77 or .A:78 or .A:190 or .A:191 or .A:192 or .A:193 or .A:197 or .A:200 or .A:201 or .A:206 or .A:209 or .A:210 or .A:211 or .A:214 or .A:216 or .A:237 or .A:238 or .A:241 or .A:264; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU18
3.977
MET62
3.544
SER63
4.753
GLU77
2.426
HIS78
3.283
THR190
2.519
PHE191
2.787
GLY192
4.231
PHE193
4.304
ILE197
3.517
LEU200
4.279
|
|||||
| Ligand Name: 2-Hydroxy-4-phenylbenzoic acid | Ligand Info | |||||
| Structure Description | Crystal structure of P.aeruginosa LpxC in complex with inhibitor | PDB:7CIB | ||||
| Method | X-ray diffraction | Resolution | 1.61 Å | Mutation | Yes | [3] |
| PDB Sequence |
MIKQRTLKNI
10 IRATGVGLHS20 GEKVYLTLKP30 APVDTGIVFS40 RTDLDPVVEI50 PARAENVGET 60 TMSTTLVKGD70 VKVDTVEHLL80 SAMAGLGIDN90 AYVELSASEV100 PIMDGSAGPF 110 VFLIQSAGLQ120 EQEAAKKFIR130 IKREVSVEEG140 DKRAVFVPFD150 GFKVSFEIDF 160 DHPVFRGRTQ170 QASVDFSSTS180 FVKEVSRART190 FGFMRDIEYL200 RSQNLALGGS 210 VENAIVVDEN220 RVLNEDGLRY230 EDEFVKHKIL240 DAIGDLYLLG250 NSLIGEFRGF 260 KSGHALNNQL270 LRTLIADKDA280 WEVVTFEDAR290 TAPISYMRP
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FYR or .FYR2 or .FYR3 or :3FYR;style chemicals stick;color identity;select .A:18 or .A:19 or .A:62 or .A:190 or .A:191 or .A:192 or .A:193 or .A:194 or .A:197 or .A:200 or .A:201 or .A:206 or .A:209 or .A:210 or .A:214 or .A:216; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-[(2s)-3-Amino-1-(Hydroxyamino)-3-Methyl-1-Oxobutan-2-Yl]-4-[4-(4-Aminophenyl)buta-1,3-Diyn-1-Yl]benzamide | Ligand Info | |||||
| Structure Description | Crystal structure of the Pseudomonas aeruginosa LpxC/LPC-040 complex | PDB:5DRQ | ||||
| Method | X-ray diffraction | Resolution | 1.63 Å | Mutation | Yes | [15] |
| PDB Sequence |
MIKQRTLKNI
10 IRATGVGLHS20 GEKVYLTLKP30 APVDTGIVFS40 RTDLDPVVEI50 PARAENVGET 60 TMSTTLVKGD70 VKVDTVEHLL80 SAMAGLGIDN90 AYVELSASEV100 PIMDGSAGPF 110 VFLIQSAGLQ120 EQEAAKKFIR130 IKREVSVEEG140 DKRAVFVPFD150 GFKVSFEIDF 160 DHPVFRGRTQ170 QASVDFSSTS180 FVKEVSRART190 FGFMRDIEYL200 RSQNLALGGS 210 VENAIVVDEN220 RVLNEDGLRY230 EDEFVKHKIL240 DAIGDLYLLG250 NSLIGEFRGF 260 KSGHALNNQL270 LRTLIADKDA280 WEVVTFEDAR290 TAPISY
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .5EM or .5EM2 or .5EM3 or :35EM;style chemicals stick;color identity;select .A:18 or .A:62 or .A:63 or .A:77 or .A:78 or .A:190 or .A:191 or .A:192 or .A:197 or .A:200 or .A:201 or .A:206 or .A:209 or .A:210 or .A:211 or .A:214 or .A:216 or .A:237 or .A:238 or .A:241 or .A:264; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU18
4.117
MET62
3.751
SER63
3.701
GLU77
2.446
HIS78
3.161
THR190
2.558
PHE191
3.417
GLY192
4.441
ILE197
3.566
LEU200
3.904
ARG201
3.468
|
|||||
| Ligand Name: N-[3-(trifluoromethoxy)phenyl]glycinamide | Ligand Info | |||||
| Structure Description | Crystal structure of P.aeruginosa LpxC in complex with inhibitor | PDB:7CIC | ||||
| Method | X-ray diffraction | Resolution | 1.78 Å | Mutation | Yes | [3] |
| PDB Sequence |
MIKQRTLKNI
10 IRATGVGLHS20 GEKVYLTLKP30 APVDTGIVFS40 RTDLDPVVEI50 PARAENVGTM 62 STTLVKGDVK72 VDTVEHLLSA82 MAGLGIDNAY92 VELSASEVPI102 MDGSAGPFVF 112 LIQSAGLQEQ122 EAAKKFIRIK132 REVSVEEGDK142 RAVFVPFDGF152 KVSFEIDFDH 162 PVFRGRTQQA172 SVDFSSTSFV182 KEVSRARTFG192 FMRDIEYLRS202 QNLALGGSVE 212 NAIVVDENRV222 LNEDGLRYED232 EFVKHKILDA242 IGDLYLLGNS252 LIGEFRGFKS 262 GHALNNQLLR272 TLIADKDAWE282 VVTFED
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FZ0 or .FZ02 or .FZ03 or :3FZ0;style chemicals stick;color identity;select .A:18 or .A:62 or .A:63 or .A:77 or .A:78 or .A:102 or .A:105 or .A:190 or .A:192 or .A:197 or .A:206 or .A:209 or .A:210 or .A:213 or .A:214 or .A:237 or .A:241 or .A:264; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: (2R)-3-{(5S)-3-[4-(cyclopropylethynyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl}-N-hydroxy-2-methyl-2-(methylsulfonyl)propanamide | Ligand Info | |||||
| Structure Description | CHAIN A. UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase PA-LPXC Complexed with (R)-3-((S)-3-(4-(cyclopropylethynyl)phenyl)-2-oxooxazolidin-5-yl)-N-hydroxy-2-methyl-2-(methylsulfonyl)propenamide | PDB:6MAE | ||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [16] |
| PDB Sequence |
MIKQRTLKNI
10 IRATGVGLHS20 GEKVYLTLKP30 APVDTGIVFC40 RTDLDPVVEI50 PARAENVGET 60 TMSTTLVKGD70 VKVDTVEHLL80 SAMAGLGIDN90 AYVELSASEV100 PIMDGSAGPF 110 VFLIQSAGLQ120 EQEAAKKFIR130 IKREVSVEEG140 DKRAVFVPFD150 GFKVSFEIDF 160 DHPVFRGTQQ171 ASVDFSTSFV182 KEVSRARTFG192 FMRDIEYLRS202 QNLALGGSVE 212 NAIVVDENRV222 LNEDGLRYED232 EFVKHKILDA242 IGDLYLLGNS252 LIGEFRGFKS 262 GHALNNQLLR272 TLIADKDAWE282 VVTFEDARTA292 PISYMRP
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .JBA or .JBA2 or .JBA3 or :3JBA;style chemicals stick;color identity;select .A:18 or .A:19 or .A:62 or .A:63 or .A:75 or .A:77 or .A:78 or .A:190 or .A:191 or .A:192 or .A:193 or .A:194 or .A:197 or .A:200 or .A:201 or .A:206 or .A:209 or .A:210 or .A:211 or .A:213 or .A:214 or .A:216 or .A:237 or .A:238 or .A:241 or .A:264; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU18
3.047
HIS19
3.353
MET62
2.278
SER63
3.801
THR75
4.370
GLU77
1.972
HIS78
2.839
THR190
2.574
PHE191
2.320
GLY192
3.759
PHE193
4.589
MET194
2.960
ILE197
3.095
|
|||||
| Ligand Name: 5-[4-[3-[[2-[(1~{S})-1-oxidanylethyl]imidazol-1-yl]methyl]-1,2-oxazol-5-yl]phenyl]pent-4-yn-1-ol | Ligand Info | |||||
| Structure Description | Crystal structure of P.aeruginosa LpxC in complex with inhibitor | PDB:7DEM | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | Yes | [17] |
| PDB Sequence |
MIKQRTLKNI
10 IRATGVGLHS20 GEKVYLTLKP30 APVDTGIVFS40 RTDLDPVVEI50 PARAENVGET 60 TMSTTLVKGD70 VKVDTVEHLL80 SAMAGLGIDN90 AYVELSASEV100 PIMDGSAGPF 110 VFLIQSAGLQ120 EQEAAKKFIR130 IKREVSVEEG140 DKRAVFVPFD150 GFKVSFEIDF 160 DHPVFQQASV174 DFSSTSFVKE184 VSRARTFGFM194 RDIEYLRSQN204 LALGGSVENA 214 IVVDENRVLN224 EDGLRYEDEF234 VKHKILDAIG244 DLYLLGNSLI254 GEFRGFKSGH 264 ALNNQLLRTL274 IADKDAWEVV284 TFEDARTAPI294 SYMRP
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .H4O or .H4O2 or .H4O3 or :3H4O;style chemicals stick;color identity;select .A:18 or .A:19 or .A:62 or .A:63 or .A:75 or .A:77 or .A:78 or .A:190 or .A:191 or .A:192 or .A:194 or .A:197 or .A:200 or .A:201 or .A:206 or .A:209 or .A:210 or .A:211 or .A:214 or .A:215 or .A:216 or .A:237 or .A:241 or .A:264; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU18
3.557
HIS19
3.075
MET62
3.372
SER63
4.346
THR75
4.235
GLU77
2.344
HIS78
3.201
THR190
3.762
PHE191
3.334
GLY192
3.818
MET194
4.044
ILE197
3.359
|
|||||
| Ligand Name: LpxC-IN-5 | Ligand Info | |||||
| Structure Description | Crystal structure of P.aeruginosa LpxC in complex with inhibitor | PDB:7CI9 | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | Yes | [3] |
| PDB Sequence |
MIKQRTLKNI
10 IRATGVGLHS20 GEKVYLTLKP30 APVDTGIVFS40 RTDLDPVVEI50 PARAENVGET 60 TMSTTLVKGD70 VKVDTVEHLL80 SAMAGLGIDN90 AYVELSASEV100 PIMDGSAGPF 110 VFLIQSAGLQ120 EQEAAKKFIR130 IKREVSVEEG140 DKRAVFVPFD150 GFKVSFEIDF 160 DHPVFRGRTQ170 QASVDFSSTS180 FVKEVSRART190 FGFMRDIEYL200 RSQNLALGGS 210 VENAIVVDEN220 RVLNEDGLRY230 EDEFVKHKIL240 DAIGDLYLLG250 NSLIGEFRGF 260 KSGHALNNQL270 LRTLIADKDA280 WEVVTFEDAR290 TAPISYMRP
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FYL or .FYL2 or .FYL3 or :3FYL;style chemicals stick;color identity;select .A:18 or .A:19 or .A:62 or .A:63 or .A:75 or .A:77 or .A:78 or .A:190 or .A:191 or .A:192 or .A:194 or .A:197 or .A:200 or .A:206 or .A:209 or .A:210 or .A:211 or .A:213 or .A:214 or .A:216 or .A:223 or .A:237 or .A:241 or .A:264; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU18
3.527
HIS19
3.110
MET62
3.239
SER63
4.369
THR75
4.184
GLU77
2.392
HIS78
3.237
THR190
3.766
PHE191
3.350
GLY192
4.298
MET194
3.854
ILE197
4.086
|
|||||
| Ligand Name: (2R)-2-azanyl-4-methylsulfonyl-N-[3-(trifluoromethyloxy)phenyl]butanamide | Ligand Info | |||||
| Structure Description | Crystal structure of P.aeruginosa LpxC in complex with inhibitor | PDB:7CI4 | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | Yes | [3] |
| PDB Sequence |
MIKQRTLKNI
10 IRATGVGLHS20 GEKVYLTLKP30 APVDTGIVFS40 RTDLDPVVEI50 PARAENVGET 60 TMSTTLVKGD70 VKVDTVEHLL80 SAMAGLGIDN90 AYVELSASEV100 PIMDGSAGPF 110 VFLIQSAGLQ120 EQEAAKKFIR130 IKREVSVEEG140 DKRAVFVPFD150 GFKVSFEIDF 160 DHPVFRGRTQ170 QASVDFSSTS180 FVKEVSRART190 FGFMRDIEYL200 RSQNLALGGS 210 VENAIVVDEN220 RVLNEDGLRY230 EDEFVKHKIL240 DAIGDLYLLG250 NSLIGEFRGF 260 KSGHALNNQL270 LRTLIADKDA280 WEVVTFEDAR290 TAPISYMRP
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FXU or .FXU2 or .FXU3 or :3FXU;style chemicals stick;color identity;select .A:18 or .A:62 or .A:63 or .A:77 or .A:78 or .A:102 or .A:105 or .A:190 or .A:191 or .A:192 or .A:193 or .A:197 or .A:200 or .A:206 or .A:209 or .A:210 or .A:213 or .A:214 or .A:234 or .A:237 or .A:238 or .A:241 or .A:264; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU18
3.577
MET62
3.233
SER63
4.920
GLU77
2.925
HIS78
2.905
ILE102
3.914
GLY105
4.341
THR190
3.456
PHE191
4.562
GLY192
3.425
PHE193
4.928
ILE197
3.145
|
|||||
| Ligand Name: (2r)-N-Hydroxy-2-Methyl-2-(Methylsulfonyl)-4-{4'-[3-(Morpholin-4-Yl)propoxy]biphenyl-4-Yl}butanamide | Ligand Info | |||||
| Structure Description | Potent Inhibitors of LpxC for the Treatment of Gram-Negative Infections | PDB:3U1Y | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | Yes | [18] |
| PDB Sequence |
MIKQRTLKNI
10 IRATGVGLHS20 GEKVYLTLKP30 APVDTGIVFS40 RTDLDPVVEI50 PARAENVGET 60 TMSTTLVKGD70 VKVDTVEHLL80 SAMAGLGIDN90 AYVELSASEV100 PIMDGSAGPF 110 VFLIQSAGLQ120 EQEAAKKFIR130 IKREVSVEEG140 DKRAVFVPFD150 GFKVSFEIDF 160 DHPVFRGRTQ170 QASVDFSSTS180 FVKEVSRART190 FGFMRDIEYL200 RSQNLALGGS 210 VENAIVVDEN220 RVLNEDGLRY230 EDEFVKHKIL240 DAIGDLYLLG250 NSLIGEFRGF 260 KSGHALNNQL270 LRTLIADKDA280 WEVVTFEDAR290 TAPISYMRP
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .03I or .03I2 or .03I3 or :303I;style chemicals stick;color identity;select .A:18 or .A:19 or .A:62 or .A:63 or .A:77 or .A:78 or .A:190 or .A:191 or .A:192 or .A:193 or .A:194 or .A:197 or .A:200 or .A:201 or .A:206 or .A:209 or .A:210 or .A:214 or .A:216 or .A:223 or .A:237 or .A:238 or .A:241 or .A:264; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU18
3.821
HIS19
4.127
MET62
3.393
SER63
4.518
GLU77
2.456
HIS78
3.112
THR190
2.593
PHE191
3.438
GLY192
3.574
PHE193
3.570
MET194
4.004
ILE197
3.761
|
|||||
| Ligand Name: N-[(2s)-3-Amino-1-(Hydroxyamino)-3-Methyl-1-Oxobutan-2-Yl]-4-[(But-2-Yn-1-Yl)oxy]benzamide | Ligand Info | |||||
| Structure Description | Pseudomonas aeruginosa LpxC in complex with NVS-LPXC-01 | PDB:5U3B | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [19] |
| PDB Sequence |
MIKQRTLKNI
10 IRATGVGLHS20 GEKVYLTLKP30 APVDTGIVFC40 RTDLDPVVEI50 PARAENVGET 60 TMSTTLVKGD70 VKVDTVEHLL80 SAMAGLGIDN90 AYVELSASEV100 PIMDGSAGPF 110 VFLIQSAGLQ120 EQEAAKKFIR130 IKREVSVEEG140 DKRAVFVPFD150 GFKVSFEIDF 160 DHPVFRTQQA172 SVDFSSTSFV182 KEVSRARTFG192 FMRDIEYLRS202 QNLALGGSVE 212 NAIVVDENRV222 LNEDGLRYED232 EFVKHKILDA242 IGDLYLLGNS252 LIGEFRGFKS 262 GHALNNQLLR272 TLIADKDAWE282 VVTFEDARTA292 PISYMRP
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .7TD or .7TD2 or .7TD3 or :37TD;style chemicals stick;color identity;select .A:18 or .A:19 or .A:62 or .A:63 or .A:77 or .A:78 or .A:190 or .A:191 or .A:192 or .A:194 or .A:197 or .A:200 or .A:201 or .A:206 or .A:209 or .A:210 or .A:211 or .A:213 or .A:214 or .A:216 or .A:237 or .A:238 or .A:241 or .A:264; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU18
3.727
HIS19
4.064
MET62
3.289
SER63
4.667
GLU77
2.505
HIS78
2.945
THR190
2.642
PHE191
3.274
GLY192
4.071
MET194
4.429
ILE197
3.395
LEU200
4.057
|
|||||
| Ligand Name: 6-(1h-Benzimidazol-1-Yl)-N-Hydroxy-5-[4-({6-[(4-Methylpiperazin-1-Yl)methyl]pyridin-3-Yl}ethynyl)phenyl]pyridine-3-Carboxamide | Ligand Info | |||||
| Structure Description | LpxC from P.aeruginosa with the inhibitor 6-(benzimidazol-1-yl)-5-[4-[2-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridyl]ethynyl]phenyl]pyridine-3-carbohydroxamic acid | PDB:4OKG | ||||
| Method | X-ray diffraction | Resolution | 2.06 Å | Mutation | Yes | [20] |
| PDB Sequence |
MIKQRTLKNI
10 IRATGVGLHS20 GEKVYLTLKP30 APVDTGIVFS40 RTDLDPVVEI50 PARAENVGET 60 TMSTTLVKGD70 VKVDTVEHLL80 SAMAGLGIDN90 AYVELSASEV100 PIMDGSAGPF 110 VFLIQSAGLQ120 EQEAAKKFIR130 IKREVSVEEG140 DKRAVFVPFD150 GFKVSFEIDF 160 DHPVFRGRTQ170 QASVDFSSTS180 FVKEVSRART190 FGFMRDIEYL200 RSQNLALGGS 210 VENAIVVDEN220 RVLNEDGLRY230 EDEFVKHKIL240 DAIGDLYLLG250 NSLIGEFRGF 260 KSGHALNNQL270 LRTLIADKDA280 WEVVTFEDAR290 TAPISYMRP
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .2SZ or .2SZ2 or .2SZ3 or :32SZ;style chemicals stick;color identity;select .A:18 or .A:19 or .A:61 or .A:62 or .A:63 or .A:77 or .A:78 or .A:190 or .A:191 or .A:192 or .A:193 or .A:194 or .A:196 or .A:197 or .A:200 or .A:201 or .A:206 or .A:209 or .A:210 or .A:211 or .A:214 or .A:216 or .A:237 or .A:241 or .A:264; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU18
3.962
HIS19
4.069
THR61
4.256
MET62
3.344
SER63
4.245
GLU77
2.499
HIS78
3.088
THR190
2.697
PHE191
3.248
GLY192
4.098
PHE193
4.927
MET194
3.662
ASP196
3.902
|
|||||
| Ligand Name: (2R,3R)-2-azanyl-1-[4-[[4-[2-[4-(hydroxymethyl)phenyl]ethynyl]phenyl]methyl]piperidin-1-yl]-4-methylsulfonyl-3-oxidanyl-butan-1-one | Ligand Info | |||||
| Structure Description | Crystal structure of P.aeruginosa LpxC in complex with inhibitor | PDB:7CI7 | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | Yes | [3] |
| PDB Sequence |
MIKQRTLKNI
10 IRATGVGLHS20 GEKVYLTLKP30 APVDTGIVFS40 RTDLDPVVEI50 PARAENVGET 60 TMSTTLVKGD70 VKVDTVEHLL80 SAMAGLGIDN90 AYVELSASEV100 PIMDGSAGPF 110 VFLIQSAGLQ120 EQEAAKKFIR130 IKREVSVEEG140 DKRAVFVPFD150 GFKVSFEIDF 160 DHPVFQQASV174 DFSSTSFVKE184 VSRARTFGFM194 RDIEYLRSQN204 LALGGSVENA 214 IVVDENRVLN224 EDGLRYEDEF234 VKHKILDAIG244 DLYLLGNSLI254 GEFRGFKSGH 264 ALNNQLLRTL274 IADKDAWEVV284 TFEDARTAPI294 SYMRP
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FY9 or .FY92 or .FY93 or :3FY9;style chemicals stick;color identity;select .A:18 or .A:19 or .A:62 or .A:63 or .A:77 or .A:78 or .A:102 or .A:190 or .A:191 or .A:192 or .A:197 or .A:200 or .A:201 or .A:206 or .A:209 or .A:210 or .A:211 or .A:214 or .A:216 or .A:237 or .A:238 or .A:241 or .A:264; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU18
3.137
HIS19
4.230
MET62
2.771
SER63
4.329
GLU77
2.893
HIS78
3.129
ILE102
4.791
THR190
2.726
PHE191
3.851
GLY192
3.867
ILE197
3.554
LEU200
4.011
|
|||||
| Ligand Name: (2R)-2-azanyl-3-oxidanyl-N-[3-(trifluoromethyloxy)phenyl]propanamide | Ligand Info | |||||
| Structure Description | Crystal structure of P.aeruginosa LpxC in complex with inhibitor | PDB:7CIE | ||||
| Method | X-ray diffraction | Resolution | 2.15 Å | Mutation | Yes | [3] |
| PDB Sequence |
MIKQRTLKNI
10 IRATGVGLHS20 GEKVYLTLKP30 APVDTGIVFS40 RTDLDPVVEI50 PARAENVGTM 62 STTLVKGDVK72 VDTVEHLLSA82 MAGLGIDNAY92 VELSASEVPI102 MDGSAGPFVF 112 LIQSAGLQEQ122 EAAKKFIRIK132 REVSVEEGDK142 RAVFVPFDGF152 KVSFEIDFDH 162 PVFRGRTQQA172 SVDFSSTSFV182 KEVSRARTFG192 FMRDIEYLRS202 QNLALGGSVE 212 NAIVVDENRV222 LNEDGLRYED232 EFVKHKILDA242 IGDLYLLGNS252 LIGEFRGFKS 262 GHALNNQLLR272 TLIADKDAWE282 VVTFE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FZ6 or .FZ62 or .FZ63 or :3FZ6;style chemicals stick;color identity;select .A:18 or .A:62 or .A:63 or .A:77 or .A:78 or .A:102 or .A:105 or .A:190 or .A:192 or .A:197 or .A:200 or .A:206 or .A:209 or .A:210 or .A:213 or .A:214 or .A:237 or .A:241 or .A:264; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Ligand Name: 3-[4-[2-[3-[[2-[(1~{S})-1-oxidanylethyl]imidazol-1-yl]methyl]-1,2-oxazol-5-yl]ethynyl]phenyl]propan-1-ol | Ligand Info | |||||
| Structure Description | Crystal structure of P.aeruginosa LpxC in complex with inhibitor | PDB:7DEL | ||||
| Method | X-ray diffraction | Resolution | 2.15 Å | Mutation | Yes | [17] |
| PDB Sequence |
MIKQRTLKNI
10 IRATGVGLHS20 GEKVYLTLKP30 APVDTGIVFS40 RTDLDPVVEI50 PARAENVGET 60 TMSTTLVKGD70 VKVDTVEHLL80 SAMAGLGIDN90 AYVELSASEV100 PIMDGSAGPF 110 VFLIQSAGLQ120 EQEAAKKFIR130 IKREVSVEEG140 DKRAVFVPFD150 GFKVSFEIDF 160 DHPVFQQASV174 DFSSTSFVKE184 VSRARTFGFM194 RDIEYLRSQN204 LALGGSVENA 214 IVVDENRVLN224 EDGLRYEDEF234 VKHKILDAIG244 DLYLLGNSLI254 GEFRGFKSGH 264 ALNNQLLRTL274 IADKDAWEVV284 TFEDARTAPI294 SYMRP
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .H4L or .H4L2 or .H4L3 or :3H4L;style chemicals stick;color identity;select .A:18 or .A:19 or .A:62 or .A:63 or .A:75 or .A:77 or .A:78 or .A:190 or .A:191 or .A:192 or .A:193 or .A:194 or .A:197 or .A:200 or .A:201 or .A:206 or .A:209 or .A:210 or .A:211 or .A:214 or .A:216 or .A:237 or .A:241 or .A:264; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU18
3.525
HIS19
3.127
MET62
3.365
SER63
4.423
THR75
4.134
GLU77
2.294
HIS78
3.017
THR190
3.748
PHE191
3.243
GLY192
4.076
PHE193
4.861
MET194
4.033
|
|||||
| Ligand Name: (3R)-3-azanyl-4-oxidanylidene-4-[[3-(trifluoromethyloxy)phenyl]amino]butanoic acid | Ligand Info | |||||
| Structure Description | Crystal structure of P.aeruginosa LpxC in complex with inhibitor | PDB:7CI5 | ||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | Yes | [3] |
| PDB Sequence |
MIKQRTLKNI
10 IRATGVGLHS20 GEKVYLTLKP30 APVDTGIVFS40 RTDLDPVVEI50 PARAENVGET 60 TMSTTLVKGD70 VKVDTVEHLL80 SAMAGLGIDN90 AYVELSASEV100 PIMDGSAGPF 110 VFLIQSAGLQ120 EQEAAKKFIR130 IKREVSVEEG140 DKRAVFVPFD150 GFKVSFEIDF 160 DHPVFRGRTQ170 QASVDFSSTS180 FVKEVSRART190 FGFMRDIEYL200 RSQNLALGGS 210 VENAIVVDEN220 RVLNEDGLRY230 EDEFVKHKIL240 DAIGDLYLLG250 NSLIGEFRGF 260 KSGHALNNQL270 LRTLIADKDA280 WEVVTFED
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FXX or .FXX2 or .FXX3 or :3FXX;style chemicals stick;color identity;select .A:18 or .A:62 or .A:63 or .A:77 or .A:78 or .A:102 or .A:105 or .A:190 or .A:192 or .A:197 or .A:200 or .A:206 or .A:209 or .A:210 or .A:213 or .A:214 or .A:237 or .A:238 or .A:241 or .A:264; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 3[N-Morpholino]propane sulfonic acid | Ligand Info | |||||
| Structure Description | Crystal structure of P.aeruginosa LpxC in complex with inhibitor | PDB:7CI5 | ||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | Yes | [3] |
| PDB Sequence |
MIKQRTLKNI
10 IRATGVGLHS20 GEKVYLTLKP30 APVDTGIVFS40 RTDLDPVVEI50 PARAENVGET 60 TMSTTLVKGD70 VKVDTVEHLL80 SAMAGLGIDN90 AYVELSASEV100 PIMDGSAGPF 110 VFLIQSAGLQ120 EQEAAKKFIR130 IKREVSVEEG140 DKRAVFVPFD150 GFKVSFEIDF 160 DHPVFRGRTQ170 QASVDFSSTS180 FVKEVSRART190 FGFMRDIEYL200 RSQNLALGGS 210 VENAIVVDEN220 RVLNEDGLRY230 EDEFVKHKIL240 DAIGDLYLLG250 NSLIGEFRGF 260 KSGHALNNQL270 LRTLIADKDA280 WEVVTFED
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .MPO or .MPO2 or .MPO3 or :3MPO;style chemicals stick;color identity;select .A:41 or .A:44 or .A:70 or .A:71 or .A:72 or .A:98; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: (1S)-1-[1-[3-(4-chlorophenyl)propyl]imidazol-2-yl]ethanol | Ligand Info | |||||
| Structure Description | Crystal structure of P.aeruginosa LpxC in complex with inhibitor | PDB:7CI6 | ||||
| Method | X-ray diffraction | Resolution | 2.70 Å | Mutation | Yes | [3] |
| PDB Sequence |
MIKQRTLKNI
10 IRATGVGLHS20 GEKVYLTLKP30 APVDTGIVFS40 RTDLDPVVEI50 PARAENVGET 60 TMSTTLVKGD70 VKVDTVEHLL80 SAMAGLGIDN90 AYVELSASEV100 PIMDGSAGPF 110 VFLIQSAGLQ120 EQEAAKKFIR130 IKREVSVEEG140 DKRAVFVPFD150 GFKVSFEIDF 160 DHPVFRGRTQ170 QASVDFSSTS180 FVKEVSRART190 FGFMRDIEYL200 RSQNLALGGS 210 VENAIVVDEN220 RVLNEDGLRY230 EDEFVKHKIL240 DAIGDLYLLG250 NSLIGEFRGF 260 KSGHALNNQL270 LRTLIADKDA280 WEVVTFEDAR290 TAPISYMRP
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FY6 or .FY62 or .FY63 or :3FY6;style chemicals stick;color identity;select .A:18 or .A:19 or .A:62 or .A:63 or .A:75 or .A:77 or .A:78 or .A:190 or .A:191 or .A:192 or .A:200 or .A:201 or .A:206 or .A:209 or .A:210 or .A:214 or .A:216 or .A:237 or .A:241 or .A:264; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: (1S)-1-[1-[(5-phenyl-1,2-oxazol-3-yl)methyl]imidazol-2-yl]ethanol | Ligand Info | |||||
| Structure Description | Crystal structure of P.aeruginosa LpxC in complex with inhibitor | PDB:7CI8 | ||||
| Method | X-ray diffraction | Resolution | 3.00 Å | Mutation | Yes | [3] |
| PDB Sequence |
MIKQRTLKNI
10 IRATGVGLHS20 GEKVYLTLKP30 APVDTGIVFS40 RTDLDPVVEI50 PARAENVGET 60 TMSTTLVKGD70 VKVDTVEHLL80 SAMAGLGIDN90 AYVELSASEV100 PIMDGSAGPF 110 VFLIQSAGLQ120 EQEAAKKFIR130 IKREVSVEEG140 DKRAVFVPFD150 GFKVSFEIDF 160 DHPVFRGRTQ170 QASVDFSSTS180 FVKEVSRART190 FGFMRDIEYL200 RSQNLALGGS 210 VENAIVVDEN220 RVLNEDGLRY230 EDEFVKHKIL240 DAIGDLYLLG250 NSLIGEFRGF 260 KSGHALNNQL270 LRTLIADKDA280 WEVVTFEDAR290 TAPISYMRP
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FYF or .FYF2 or .FYF3 or :3FYF;style chemicals stick;color identity;select .A:18 or .A:19 or .A:62 or .A:63 or .A:75 or .A:77 or .A:78 or .A:190 or .A:191 or .A:192 or .A:197 or .A:200 or .A:206 or .A:209 or .A:214 or .A:237 or .A:241 or .A:264; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N~1~-Hydroxy-N~5~-(3-Hydroxypropyl)-N~2~-[4-(Phenylethynyl)benzoyl]-L-Glutamamide | Ligand Info | |||||
| Structure Description | Pseudomonas aeruginosa LpxC in complex with a hydroxamate inhibitor | PDB:4J3D | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [21] |
| PDB Sequence |
MIKQRTLKNI
10 IRATGVGLHS20 GEKVYLTLKP30 APVDTGIVFC40 RTDLDPVVEI50 PARAENVGET 60 TMSTTLVKGD70 VKVDTVEHLL80 SAMAGLGIDN90 AYVELSASEV100 PIMDGSAGPF 110 VFLIQSAGLQ120 EQEAAKKFIR130 IKREVSVEEG140 DKRAVFVPFD150 GFKVSFEIDQ 170 QASVDFSSTS180 FVKEVSRART190 FGFMRDIEYL200 RSQNLALGGS210 VENAIVVDEN 220 RVLNEDGLRY230 EDEFVKHKIL240 DAIGDLYLLG250 NSLIGEFRGF260 KSGHALNNQL 270 LRTLIADKDA280 WEVVTFEDAR290 TAPISYM
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .1JS or .1JS2 or .1JS3 or :31JS;style chemicals stick;color identity;select .A:18 or .A:19 or .A:62 or .A:63 or .A:77 or .A:78 or .A:190 or .A:191 or .A:192 or .A:193 or .A:196 or .A:197 or .A:200 or .A:201 or .A:206 or .A:209 or .A:210 or .A:211 or .A:214 or .A:216 or .A:237 or .A:238 or .A:241 or .A:264; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU18
4.056
HIS19
3.831
MET62
2.976
SER63
4.622
GLU77
2.176
HIS78
3.453
THR190
2.614
PHE191
2.938
GLY192
3.495
PHE193
3.188
ASP196
2.760
ILE197
3.388
|
|||||
| Ligand Name: N-{(1s,2r)-2-Hydroxy-1-[(Hydroxyamino)carbonyl]propyl}-4-{[4-(Morpholin-4-Ylmethyl)phenyl]ethynyl}benzamide | Ligand Info | |||||
| Structure Description | Pseudomonas aeruginosa LpxC in complex with CHIR-090 | PDB:5U39 | ||||
| Method | X-ray diffraction | Resolution | 1.75 Å | Mutation | No | [19] |
| PDB Sequence |
IKQRTLKNII
11 RATGVGLHSG21 EKVYLTLKPA31 PVDTGIVFCR41 TDLDPVVEIP51 ARAENVGETT 61 MSTTLVKGDV71 KVDTVEHLLS81 AMAGLGIDNA91 YVELSASEVP101 IMDGSAGPFV 111 FLIQSAGLQE121 QEAAKKFIRI131 KREVSVEEGD141 KRAVFVPFDG151 FKVSFEIDFD 161 HPVFRGRTQQ171 ASVDFSSTSF181 VKEVSRARTF191 GFMRDIEYLR201 SQNLALGGSV 211 ENAIVVDENR221 VLNEDGLRYE231 DEFVKHKILD241 AIGDLYLLGN251 SLIGEFRGFK 261 SGHALNNQLL271 RTLIADKDAW281 EVVTFED
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .C90 or .C902 or .C903 or :3C90;style chemicals stick;color identity;select .A:18 or .A:19 or .A:62 or .A:77 or .A:78 or .A:190 or .A:191 or .A:192 or .A:194 or .A:197 or .A:198 or .A:200 or .A:201 or .A:206 or .A:209 or .A:210 or .A:211 or .A:214 or .A:216 or .A:223 or .A:237 or .A:238 or .A:241 or .A:264; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU18
3.944
HIS19
4.035
MET62
3.997
GLU77
2.510
HIS78
3.304
THR190
2.584
PHE191
2.809
GLY192
4.380
MET194
3.432
ILE197
3.292
GLU198
4.250
LEU200
3.665
|
|||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: (2R,4R)-4-[[(2S,4S)-4-fluoranylpyrrolidin-2-yl]carbonylamino]-1-(2-methylpropanoyl)-N-[[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]methyl]pyrrolidine-2-carboxamide | Ligand Info | |||||
| Structure Description | LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria | PDB:7PJ2 | ||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [22] |
| PDB Sequence |
MIKQRTLKNI
10 IRATGVGLHS20 GEKVYLTLKP30 APVDTGIVFS40 RTDLDPVVEI50 PARAENVGET 60 TMSTTLVKGD70 VKVDTVEHLL80 SAMAGLGIDN90 AYVELSASEV100 PIMDGSAGPF 110 VFLIQSAGLQ120 EQEAAKKFIR130 IKREVSVEEG140 DKRAVFVPFD150 GFKVSFEIDF 160 DHPVFRTQQA172 SVDFSSTSFV182 KEVSRARTFG192 FMRDIEYLRS202 QNLALGGSVE 212 NAIVVDENRV222 LNEDGLRYED232 EFVKHKILDA242 IGDLYLLGNS252 LIGEFRGFKS 262 GHALNNQLLR272 TLIADKDAWE282 VVTFEDARTA292 PISYMRP
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .7S6 or .7S62 or .7S63 or :37S6;style chemicals stick;color identity;select .A:18 or .A:19 or .A:62 or .A:63 or .A:75 or .A:77 or .A:78 or .A:160 or .A:190 or .A:191 or .A:192 or .A:193 or .A:194 or .A:197 or .A:200 or .A:201 or .A:206 or .A:209 or .A:210 or .A:211 or .A:214 or .A:216 or .A:223 or .A:237 or .A:238 or .A:241; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU18
3.799
HIS19
4.501
MET62
3.108
SER63
4.096
THR75
4.329
GLU77
2.599
HIS78
3.191
PHE160
3.763
THR190
2.720
PHE191
2.693
GLY192
4.162
PHE193
3.525
MET194
3.113
|
|||||
| Ligand Name: (2~{R},4~{R})-4-[[(2~{S},4~{S})-4-fluoranylpyrrolidin-2-yl]carbonylamino]-1-(2-methylpropanoyl)-~{N}-[[4-(2-phenylethynyl)phenyl]methyl]pyrrolidine-2-carboxamide | Ligand Info | |||||
| Structure Description | LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria | PDB:7PHN | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [23] |
| PDB Sequence |
SMIKQRTLKN
9 IIRATGVGLH19 SGEKVYLTLK29 PAPVDTGIVF39 SRTDLDPVVE49 IPARAENVGE 59 TTMSTTLVKG69 DVKVDTVEHL79 LSAMAGLGID89 NAYVELSASE99 VPIMDGSAGP 109 FVFLIQSAGL119 QEQEAAKKFI129 RIKREVSVEE139 GDKRAVFVPF149 DGFKVSFEID 159 FDHPVFQQAS173 VDFSSTSFVK183 EVSRARTFGF193 MRDIEYLRSQ203 NLALGGSVEN 213 AIVVDENRVL223 NEDGLRYEDE233 FVKHKILDAI243 GDLYLLGNSL253 IGEFRGFKSG 263 HALNNQLLRT273 LIADKDAWEV283 VTFEDARTAP293 ISYMRP
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .7PX or .7PX2 or .7PX3 or :37PX;style chemicals stick;color identity;select .A:18 or .A:19 or .A:62 or .A:63 or .A:75 or .A:77 or .A:78 or .A:160 or .A:190 or .A:191 or .A:192 or .A:193 or .A:194 or .A:197 or .A:200 or .A:201 or .A:206 or .A:209 or .A:210 or .A:211 or .A:214 or .A:216 or .A:237 or .A:238 or .A:241 or .A:264; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU18
3.740
HIS19
4.432
MET62
3.090
SER63
4.143
THR75
4.226
GLU77
2.705
HIS78
3.160
PHE160
3.692
THR190
2.724
PHE191
2.768
GLY192
4.254
PHE193
3.669
MET194
4.682
|
|||||
| Ligand Name: (2S,4S)-N-[(3R,5R)-1-cyclopropylcarbonyl-5-[[[4-[2-[4-[(1S)-2-methoxy-1-oxidanyl-ethyl]phenyl]ethynyl]phenyl]carbonylamino]methyl]pyrrolidin-3-yl]-4-fluoranyl-pyrrolidine-2-carboxamide | Ligand Info | |||||
| Structure Description | LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria | PDB:7PZV | ||||
| Method | X-ray diffraction | Resolution | 1.92 Å | Mutation | No | [24] |
| PDB Sequence |
MIKQRTLKNI
10 IRATGVGLHS20 GEKVYLTLKP30 APVDTGIVFS40 RTDLDPVVEI50 PARAENVGET 60 TMSTTLVKGD70 VKVDTVEHLL80 SAMAGLGIDN90 AYVELSASEV100 PIMDGSAGPF 110 VFLIQSAGLQ120 EQEAAKKFIR130 IKREVSVEEG140 DKRAVFVPFD150 GFKVSFEIDF 160 DHPVFTQQAS173 VDFSSTSFVK183 EVSRARTFGF193 MRDIEYLRSQ203 NLALGGSVEN 213 AIVVDENRVL223 NEDGLRYEDE233 FVKHKILDAI243 GDLYLLGNSL253 IGEFRGFKSG 263 HALNNQLLRT273 LIADKDAWEV283 VTFEDARTAP293 ISYMRP
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .9DO or .9DO2 or .9DO3 or :39DO;style chemicals stick;color identity;select .A:18 or .A:19 or .A:62 or .A:63 or .A:75 or .A:77 or .A:78 or .A:160 or .A:190 or .A:191 or .A:192 or .A:193 or .A:196 or .A:197 or .A:200 or .A:201 or .A:206 or .A:209 or .A:210 or .A:211 or .A:214 or .A:216 or .A:237 or .A:238 or .A:241; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU18
3.878
HIS19
4.133
MET62
3.304
SER63
4.355
THR75
4.317
GLU77
2.632
HIS78
3.387
PHE160
3.638
THR190
2.627
PHE191
2.842
GLY192
3.982
PHE193
3.543
ASP196
3.910
|
|||||
| Ligand Name: (4S)-N-((3R,5R)-1-(cyclopropanecarbonyl)-5-((5-(phenylethynyl)thiophene-2-carboxamido)methyl)pyrrolidin-3-yl)-4-fluoropyrrolidine-2-carboxamide | Ligand Info | |||||
| Structure Description | LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria | PDB:7PZW | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | Yes | [25] |
| PDB Sequence |
SMIKQRTLKN
9 IIRATGVGLH19 SGEKVYLTLK29 PAPVDTGIVF39 SRTDLDPVVE49 IPARAENVGE 59 TTMSTTLVKG69 DVKVDTVEHL79 LSAMAGLGID89 NAYVELSASE99 VPIMDGSAGP 109 FVFLIQSAGL119 QEQEAAKKFI129 RIKREVSVEE139 GDKRAVFVPF149 DGFKVSFEID 159 FDHPVFTQQA172 SVDFSSTSFV182 KEVSRARTFG192 FMRDIEYLRS202 QNLALGGSVE 212 NAIVVDENRV222 LNEDGLRYED232 EFVKHKILDA242 IGDLYLLGNS252 LIGEFRGFKS 262 GHALNNQLLR272 TLIADKDAWE282 VVTFEDARTA292 PI
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .9A1 or .9A12 or .9A13 or :39A1;style chemicals stick;color identity;select .A:18 or .A:19 or .A:62 or .A:63 or .A:75 or .A:77 or .A:78 or .A:160 or .A:190 or .A:191 or .A:192 or .A:193 or .A:196 or .A:197 or .A:200 or .A:201 or .A:206 or .A:209 or .A:210 or .A:211 or .A:214 or .A:216 or .A:237 or .A:238 or .A:241; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU18
3.690
HIS19
4.725
MET62
3.144
SER63
4.160
THR75
4.520
GLU77
2.729
HIS78
3.028
PHE160
3.894
THR190
2.725
PHE191
3.112
GLY192
3.763
PHE193
3.729
ASP196
3.683
|
|||||
| Ligand Name: (2S,4S)-N-((3R,5R)-1-(cyclopropanecarbonyl)-5-((4-(((1R,2R)-2-(methoxymethyl)cyclopropyl)buta-1,3-diyn-1-yl)benzamido)methyl)pyrrolidin-3-yl)-4-fluoropyrrolidine-2-carboxamide | Ligand Info | |||||
| Structure Description | LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria | PDB:7Q01 | ||||
| Method | X-ray diffraction | Resolution | 2.01 Å | Mutation | No | [26] |
| PDB Sequence |
MIKQRTLKNI
10 IRATGVGLHS20 GEKVYLTLKP30 APVDTGIVFS40 RTDLDPVVEI50 PARAENVGET 60 TMSTTLVKGD70 VKVDTVEHLL80 SAMAGLGIDN90 AYVELSASEV100 PIMDGSAGPF 110 VFLIQSAGLQ120 EQEAAKKFIR130 IKREVSVEEG140 DKRAVFVPFD150 GFKVSFEIDF 160 DHPVFTQQAS173 VDFSSTSFVK183 EVSRARTFGF193 MRDIEYLRSQ203 NLALGGSVEN 213 AIVVDENRVL223 NEDGLRYEDE233 FVKHKILDAI243 GDLYLLGNSL253 IGEFRGFKSG 263 HALNNQLLRT273 LIADKDAWEV283 VTFEDARTAP293
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .9B9 or .9B92 or .9B93 or :39B9;style chemicals stick;color identity;select .A:18 or .A:19 or .A:62 or .A:63 or .A:75 or .A:77 or .A:78 or .A:160 or .A:190 or .A:191 or .A:192 or .A:193 or .A:194 or .A:196 or .A:197 or .A:200 or .A:201 or .A:206 or .A:209 or .A:210 or .A:211 or .A:214 or .A:216 or .A:237 or .A:238 or .A:241 or .A:264; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU18
3.964
HIS19
4.541
MET62
3.306
SER63
4.416
THR75
4.356
GLU77
2.546
HIS78
3.173
PHE160
3.566
THR190
2.454
PHE191
2.783
GLY192
3.799
PHE193
3.897
MET194
4.477
ASP196
4.429
|
|||||
| Ligand Name: (2R,4R)-N-[[4-(4-cyclopropylbuta-1,3-diynyl)phenyl]methyl]-1-(2-methylpropanoyl)-4-[[(2S,4R)-4-oxidanylpyrrolidin-2-yl]carbonylamino]pyrrolidine-2-carboxamide | Ligand Info | |||||
| Structure Description | LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria | PDB:7PJG | ||||
| Method | X-ray diffraction | Resolution | 2.04 Å | Mutation | No | [27] |
| PDB Sequence |
MIKQRTLKNI
10 IRATGVGLHS20 GEKVYLTLKP30 APVDTGIVFS40 RTDLDPVVEI50 PARAENVGET 60 TMSTTLVKGD70 VKVDTVEHLL80 SAMAGLGIDN90 AYVELSASEV100 PIMDGSAGPF 110 VFLIQSAGLQ120 EQEAAKKFIR130 IKREVSVEEG140 DKRAVFVPFD150 GFKVSFEIDF 160 DHPVFRGRTQ170 QASVDFSSTS180 FVKEVSRART190 FGFMRDIEYL200 RSQNLALGGS 210 VENAIVVDEN220 RVLNEDGLRY230 EDEFVKHKIL240 DAIGDLYLLG250 NSLIGEFRGF 260 KSGHALNNQL270 LRTLIADKDA280 WEVVTFEDAR290 TAPISYMRP
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .7S2 or .7S22 or .7S23 or :37S2;style chemicals stick;color identity;select .A:18 or .A:19 or .A:62 or .A:63 or .A:75 or .A:77 or .A:78 or .A:160 or .A:190 or .A:191 or .A:192 or .A:193 or .A:194 or .A:196 or .A:197 or .A:200 or .A:201 or .A:206 or .A:209 or .A:210 or .A:211 or .A:214 or .A:216 or .A:237 or .A:238 or .A:241 or .A:264; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU18
3.744
HIS19
2.815
MET62
3.826
SER63
3.493
THR75
4.350
GLU77
2.703
HIS78
3.095
PHE160
3.517
THR190
2.778
PHE191
2.862
GLY192
4.187
PHE193
3.575
MET194
4.024
ASP196
4.659
|
|||||
| Ligand Name: (2S,4S)-N-[(3R,5R)-1-cyclopropylcarbonyl-5-[[[2-methyl-4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]carbonylamino]methyl]pyrrolidin-3-yl]-4-fluoranyl-pyrrolidine-2-carboxamide | Ligand Info | |||||
| Structure Description | LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria | PDB:7PKM | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [28] |
| PDB Sequence |
MIKQRTLKNI
10 IRATGVGLHS20 GEKVYLTLKP30 APVDTGIVFS40 RTDLDPVVEI50 PARAENVGET 60 TMSTTLVKGD70 VKVDTVEHLL80 SAMAGLGIDN90 AYVELSASEV100 PIMDGSAGPF 110 VFLIQSAGLQ120 EQEAAKKFIR130 IKREVSVEEG140 DKRAVFVPFD150 GFKVSFEIDF 160 DHPVFRTQQA172 SVDFSSTSFV182 KEVSRARTFG192 FMRDIEYLRS202 QNLALGGSVE 212 NAIVVDENRV222 LNEDGLRYED232 EFVKHKILDA242 IGDLYLLGNS252 LIGEFRGFKS 262 GHALNNQLLR272 TLIADKDAWE282 VVTFEDARTA292 PISYMRP
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .6G8 or .6G82 or .6G83 or :36G8;style chemicals stick;color identity;select .A:18 or .A:19 or .A:62 or .A:63 or .A:75 or .A:77 or .A:78 or .A:160 or .A:190 or .A:191 or .A:192 or .A:193 or .A:196 or .A:197 or .A:200 or .A:201 or .A:206 or .A:209 or .A:210 or .A:211 or .A:214 or .A:216 or .A:237 or .A:238 or .A:241; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU18
3.654
HIS19
4.526
MET62
3.337
SER63
4.255
THR75
4.343
GLU77
2.713
HIS78
3.007
PHE160
3.584
THR190
2.699
PHE191
2.764
GLY192
4.268
PHE193
3.629
ASP196
4.009
|
|||||
| Ligand Name: (2S,4S)-N-((3R,5R)-1-(cyclopropanecarbonyl)-5-((3-fluoro-4-((4-(morpholinomethyl)phenyl)ethynyl)benzamido)methyl)pyrrolidin-3-yl)-4-fluoropyrrolidine-2-carboxamide | Ligand Info | |||||
| Structure Description | LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria | PDB:7PZU | ||||
| Method | X-ray diffraction | Resolution | 2.15 Å | Mutation | No | [29] |
| PDB Sequence |
MIKQRTLKNI
10 IRATGVGLHS20 GEKVYLTLKP30 APVDTGIVFS40 RTDLDPVVEI50 PARAENVGET 60 TMSTTLVKGD70 VKVDTVEHLL80 SAMAGLGIDN90 AYVELSASEV100 PIMDGSAGPF 110 VFLIQSAGLQ120 EQEAAKKFIR130 IKREVSVEEG140 DKRAVFVPFD150 GFKVSFEIDF 160 DHPVFRTQQA172 SVDFSSTSFV182 KEVSRARTFG192 FMRDIEYLRS202 QNLALGGSVE 212 NAIVVDENRV222 LNEDGLRYED232 EFVKHKILDA242 IGDLYLLGNS252 LIGEFRGFKS 262 GHALNNQLLR272 TLIADKDAWE282 VVTFEDARTA292 PISYMRP
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .99I or .99I2 or .99I3 or :399I;style chemicals stick;color identity;select .A:18 or .A:19 or .A:62 or .A:63 or .A:75 or .A:77 or .A:78 or .A:160 or .A:190 or .A:191 or .A:192 or .A:193 or .A:194 or .A:196 or .A:197 or .A:200 or .A:201 or .A:206 or .A:209 or .A:210 or .A:211 or .A:214 or .A:216 or .A:237 or .A:238 or .A:241; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU18
3.747
HIS19
4.489
MET62
3.433
SER63
4.467
THR75
4.426
GLU77
2.713
HIS78
3.147
PHE160
3.828
THR190
2.861
PHE191
2.727
GLY192
3.850
PHE193
3.718
MET194
3.232
|
|||||
| Ligand Name: (2S,4S)-4-fluoranyl-N-[(3R,5R)-5-[[[4-[2-(4-methylphenyl)ethynyl]phenyl]carbonylamino]methyl]-1-(2-methylpropanoyl)pyrrolidin-3-yl]pyrrolidine-2-carboxamide | Ligand Info | |||||
| Structure Description | LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria | PDB:7PK8 | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [30] |
| PDB Sequence |
SMIKQRTLKN
9 IIRATGVGLH19 SGEKVYLTLK29 PAPVDTGIVF39 SRTDLDPVVE49 IPARAENVGE 59 TTMSTTLVKG69 DVKVDTVEHL79 LSAMAGLGID89 NAYVELSASE99 VPIMDGSAGP 109 FVFLIQSAGL119 QEQEAAKKFI129 RIKREVSVEE139 GDKRAVFVPF149 DGFKVSFEID 159 FDHPVFQQAS173 VDFSSTSFVK183 EVSRARTFGF193 MRDIEYLRSQ203 NLALGGSVEN 213 AIVVDENRVL223 NEDGLRYEDE233 FVKHKILDAI243 GDLYLLGNSL253 IGEFRGFKSG 263 HALNNQLLRT273 LIADKDAWEV283 VTFEDARTAP293 ISYMRP
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .7T5 or .7T52 or .7T53 or :37T5;style chemicals stick;color identity;select .A:18 or .A:19 or .A:62 or .A:63 or .A:75 or .A:77 or .A:78 or .A:160 or .A:190 or .A:191 or .A:192 or .A:193 or .A:196 or .A:197 or .A:200 or .A:206 or .A:209 or .A:210 or .A:211 or .A:214 or .A:216 or .A:237 or .A:238 or .A:241 or .A:264; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU18
3.767
HIS19
4.281
MET62
3.096
SER63
4.111
THR75
4.306
GLU77
2.640
HIS78
3.273
PHE160
3.699
THR190
2.662
PHE191
2.726
GLY192
4.077
PHE193
3.301
ASP196
4.553
|
|||||
| Ligand Name: (2S,4S)-N-((3R,5R)-5-((2-chloro-4-((4-(morpholinomethyl)phenyl)ethynyl)benzamido)methyl)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl)-4-fluoropyrrolidine-2-carboxamide | Ligand Info | |||||
| Structure Description | LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria | PDB:7PZS | ||||
| Method | X-ray diffraction | Resolution | 2.45 Å | Mutation | No | [31] |
| PDB Sequence |
MIKQRTLKNI
10 IRATGVGLHS20 GEKVYLTLKP30 APVDTGIVFS40 RTDLDPVVEI50 PARAENVGET 60 TMSTTLVKGD70 VKVDTVEHLL80 SAMAGLGIDN90 AYVELSASEV100 PIMDGSAGPF 110 VFLIQSAGLQ120 EQEAAKKFIR130 IKREVSVEEG140 DKRAVFVPFD150 GFKVSFEIDF 160 DHPVFRTQQA172 SVDFSSTSFV182 KEVSRARTFG192 FMRDIEYLRS202 QNLALGGSVE 212 NAIVVDENRV222 LNEDGLRYED232 EFVKHKILDA242 IGDLYLLGNS252 LIGEFRGFKS 262 GHALNNQLLR272 TLIADKDAWE282 VVTFEDARTA292 PISYMRP
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .98O or .98O2 or .98O3 or :398O;style chemicals stick;color identity;select .A:18 or .A:19 or .A:62 or .A:63 or .A:75 or .A:77 or .A:78 or .A:160 or .A:190 or .A:191 or .A:192 or .A:193 or .A:196 or .A:197 or .A:200 or .A:206 or .A:209 or .A:210 or .A:211 or .A:214 or .A:216 or .A:237 or .A:238 or .A:241; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU18
3.755
HIS19
3.949
MET62
3.220
SER63
4.287
THR75
4.191
GLU77
2.745
HIS78
2.908
PHE160
3.561
THR190
3.167
PHE191
2.812
GLY192
4.120
PHE193
3.722
|
|||||
| Ligand Name: (2R,4R)-1-cyclopropylcarbonyl-4-[[(2S,4S)-4-fluoranylpyrrolidin-2-yl]carbonylamino]-N-[[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]methyl]pyrrolidine-2-carboxamide | Ligand Info | |||||
| Structure Description | LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria | PDB:7PKK | ||||
| Method | X-ray diffraction | Resolution | 2.55 Å | Mutation | No | [32] |
| PDB Sequence |
MIKQRTLKNI
10 IRATGVGLHS20 GEKVYLTLKP30 APVDTGIVFS40 RTDLDPVVEI50 PARAENVGET 60 TMSTTLVKGD70 VKVDTVEHLL80 SAMAGLGIDN90 AYVELSASEV100 PIMDGSAGPF 110 VFLIQSAGLQ120 EQEAAKKFIR130 IKREVSVEEG140 DKRAVFVPFD150 GFKVSFEIDF 160 DHPVFRTQQA172 SVDFSSTSFV182 KEVSRARTFG192 FMRDIEYLRS202 QNLALGGSVE 212 NAIVVDENRV222 LNEDGLRYED232 EFVKHKILDA242 IGDLYLLGNS252 LIGEFRGFKS 262 GHALNNQLLR272 TLIADKDAWE282 VVTFEDARTA292 PISYMRP
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .7TF or .7TF2 or .7TF3 or :37TF;style chemicals stick;color identity;select .A:18 or .A:19 or .A:62 or .A:63 or .A:75 or .A:77 or .A:78 or .A:160 or .A:190 or .A:191 or .A:192 or .A:193 or .A:196 or .A:197 or .A:200 or .A:201 or .A:206 or .A:209 or .A:210 or .A:211 or .A:214 or .A:216 or .A:237 or .A:238 or .A:241 or .A:264; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU18
3.824
HIS19
4.408
MET62
3.146
SER63
4.191
THR75
4.309
GLU77
2.731
HIS78
3.209
PHE160
3.583
THR190
2.558
PHE191
2.882
GLY192
4.220
PHE193
3.810
ASP196
3.957
|
|||||
| Ligand Name: 4-[(1~{R},5~{S})-6-[2-[4-[3-[[2-[(1~{S})-1-oxidanylethyl]imidazol-1-yl]methyl]-1,2-oxazol-5-yl]phenyl]ethynyl]-3-azabicyclo[3.1.0]hexan-3-yl]butanoic acid | Ligand Info | |||||
| Structure Description | Crystal structure of P.aeruginosa LpxC in complex with inhibitor | PDB:7DEN | ||||
| Method | X-ray diffraction | Resolution | 2.07 Å | Mutation | Yes | [17] |
| PDB Sequence |
MIKQRTLKNI
10 IRATGVGLHS20 GEKVYLTLKP30 APVDTGIVFS40 RTDLDPVVEI50 PARAENVGET 60 TMSTTLVKGD70 VKVDTVEHLL80 SAMAGLGIDN90 AYVELSASEV100 PIMDGSAGPF 110 VFLIQSAGLQ120 EQEAAKKFIR130 IKREVSVEEG140 DKRAVFVPFD150 GFKVSFEIDF 160 DHPVFQQASV174 DFSSTSFVKE184 VSRARTFGFM194 RDIEYLRSQN204 LALGGSVENA 214 IVVDENRVLN224 EDGLRYEDEF234 VKHKILDAIG244 DLYLLGNSLI254 GEFRGFKSGH 264 ALNNQLLRTL274 IADKDAWEVV284 TFEDARTAPI294 SYMRP
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .H4R or .H4R2 or .H4R3 or :3H4R;style chemicals stick;color identity;select .A:18 or .A:19 or .A:62 or .A:63 or .A:75 or .A:77 or .A:78 or .A:190 or .A:191 or .A:192 or .A:194 or .A:197 or .A:200 or .A:201 or .A:206 or .A:209 or .A:210 or .A:211 or .A:214 or .A:215 or .A:216 or .A:237 or .A:241 or .A:264; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU18
3.444
HIS19
3.219
MET62
3.446
SER63
4.304
THR75
4.145
GLU77
2.408
HIS78
3.270
THR190
3.622
PHE191
3.245
GLY192
3.836
MET194
3.814
ILE197
3.714
|
|||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Optimization of LpxC Inhibitors for Antibacterial Activity and Cardiovascular Safety. ChemMedChem. 2019 Aug 20;14(16):1560-1572. | ||||
| REF 2 | Crystal structure of LpxC from Pseudomonas aeruginosa complexed with the potent BB-78485 inhibitor. Protein Sci. 2008 Mar;17(3):450-7. | ||||
| REF 3 | Fragment-Based Discovery of Novel Non-Hydroxamate LpxC Inhibitors with Antibacterial Activity. J Med Chem. 2020 Dec 10;63(23):14805-14820. | ||||
| REF 4 | N-Hydroxyformamide LpxC inhibitors, their in vivo efficacy in a mouse Escherichia coli infection model, and their safety in a rat hemodynamic assay. Bioorg Med Chem. 2020 Dec 15;28(24):115826. | ||||
| REF 5 | Crystal structure of LpxC from Pseudomonas aeruginosa in complex with ligand PT802 | ||||
| REF 6 | Crystal structure of LpxC from Pseudomonas aeruginosa in complex with PF-5081090 | ||||
| REF 7 | Crystal Structure of the LpxC in complex with N-[(2S,3R)-3-HYDROXY-1-(HYDROXYAMINO)-1-OXOBUTAN-2-YL]BIPHENYL-4-CARBOXAMIDE inhibitor | ||||
| REF 8 | Crystal Structure of the LpxC in complex with N-[(2S,3R)-3-HYDROXY-1-(HYDROXYAMINO)-1-OXOBUTAN-2-YL]-4-(PHENYLETHYNYL)BENZAMIDE inhibitor | ||||
| REF 9 | Structure-based discovery of LpxC inhibitors. Bioorg Med Chem Lett. 2017 Apr 15;27(8):1670-1680. | ||||
| REF 10 | Crystal Structure of the LpxC in complex with 4'-BROMO-N-[(2S,3R)-3-HYDROXY-1-(HYDROXYAMINO)-1-OXOBUTAN-2-YL]BIPHENYL-4-CARBOXAMIDE inhibitor | ||||
| REF 11 | Crystal Structure of the LpxC in complex with N-[(2S)-3-AMINO-1-(HYDROXYAMINO)-1-OXOPROPAN-2-YL]-4-(4-PHENYLBUTA-1,3-DIYN-1-YL)BENZAMIDE inhibitor | ||||
| REF 12 | Pyridone methylsulfone hydroxamate LpxC inhibitors for the treatment of serious gram-negative infections. J Med Chem. 2012 Feb 23;55(4):1662-70. | ||||
| REF 13 | Species-specific and inhibitor-dependent conformations of LpxC: implications for antibiotic design. Chem Biol. 2011 Jan 28;18(1):38-47. | ||||
| REF 14 | Synthesis, structure, and antibiotic activity of aryl-substituted LpxC inhibitors. J Med Chem. 2013 Sep 12;56(17):6954-6966. | ||||
| REF 15 | Drug design from the cryptic inhibitor envelope. Nat Commun. 2016 Feb 25;7:10638. | ||||
| REF 16 | Application of Virtual Screening to the Identification of New LpxC Inhibitor Chemotypes, Oxazolidinone and Isoxazoline. J Med Chem. 2018 Oct 25;61(20):9360-9370. | ||||
| REF 17 | Lead optimization of 2-hydroxymethyl imidazoles as non-hydroxamate LpxC inhibitors: Discovery of TP0586532. Bioorg Med Chem. 2021 Jan 15;30:115964. | ||||
| REF 18 | Potent inhibitors of LpxC for the treatment of Gram-negative infections. J Med Chem. 2012 Jan 26;55(2):914-23. | ||||
| REF 19 | Design, Synthesis, and Properties of a Potent Inhibitor of Pseudomonas aeruginosa Deacetylase LpxC. J Med Chem. 2017 Jun 22;60(12):5002-5014. | ||||
| REF 20 | LpxC from P.aeruginosa with the inhibitor 6-(benzimidazol-1-yl)-5-[4-[2-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridyl]ethynyl]phenyl]pyridine-3-carbohydroxamic acid | ||||
| REF 21 | Exploring the UDP pocket of LpxC through amino acid analogs. Bioorg Med Chem Lett. 2013 Apr 15;23(8):2362-7. | ||||
| REF 22 | LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria | ||||
| REF 23 | LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria | ||||
| REF 24 | LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria | ||||
| REF 25 | LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria | ||||
| REF 26 | LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria | ||||
| REF 27 | LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria | ||||
| REF 28 | LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria | ||||
| REF 29 | LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria | ||||
| REF 30 | LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria | ||||
| REF 31 | LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria | ||||
| REF 32 | LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria | ||||
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