Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T66383 | Target Info | |||
| Target Name | Complement factor D (CFD) | ||||
| Synonyms | Properdin factor D; PFD; DF; C3 convertase activator; Adipsin | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | CFD | ||||
| Biochemical Class | Peptidase | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: 3,4-dichloroisocoumarin | Ligand Info | |||||
| Structure Description | STRUCTURE OF 3,4-DICHLOROISOCOUMARIN-INHIBITED FACTOR D | PDB:1DIC | ||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [1] |
| PDB Sequence |
ILGGREAEAH
25 ARPYMASVQL35 NGAHLCGGVL46 VAEQWVLSAA56 HCLEDAADGK63 VQVLLGAHSL 73 SQPEPSKRLY83 DVLRAVPHPD93 SQPDTIDHDL103 LLLQLSEKAT113 LGPAVRPLPW 124A QRVDRDVAPG133 TLCDVAGWGI143 VNHAGRRPDS154 LQHVLLPVLD164 RATCNRRTHH 172 DGAITERLMC182 AESNRRDSCK192 GDSGGPLVCG202 GVLEGVVTSG216 SRVCGNRKKP 225 GIYTRVASYA235 AWIDSVLA
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| Ligand Name: Diisopropylphosphono Group | Ligand Info | |||||
| Structure Description | FACTOR D INHIBITED BY DIISOPROPYL FLUOROPHOSPHATE | PDB:1DFP | ||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | No | [2] |
| PDB Sequence |
ILGGREAEAH
25 ARPYMASVQL35 NGAHLCGGVL46 VAEQWVLSAA56 HCLEDAADGK63 VQVLLGAHSL 73 SQPEPSKRLY83 DVLRAVPHPD93 SQPDTIDHDL103 LLLQLSEKAT113 LGPAVRPLPW 124A QRVDRDVAPG133 TLCDVAGWGI143 VNHAGRRPDS154 LQHVLLPVLD164 RATCNRRTHH 172 DGAITERLMC182 AESNRRDSCK192 GDSGGPLVCG202 GVLEGVVTSG216 SRVCGNRKKP 225 GIYTRVASYA235 AWIDSVLA
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| Ligand Name: 2-[2-[[3-[3-(Aminomethyl)phenyl]phenyl]carbonylamino]phenyl]ethanoic acid | Ligand Info | |||||
| Structure Description | Complement factor D in complex with the inhibitor 2-(2-(3'-(aminomethyl)-[1,1'-biphenyl]-3-carboxamido)phenyl)acetic acid | PDB:6QMT | ||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [3] |
| PDB Sequence |
ILGGREAEAH
25 ARPYMASVQL35 NGAHLCGGVL46 VAEQWVLSAA56 HCLEDAADGK63 VQVLLGAHSL 73 SQPEPSKRLY83 DVLRAVPHPD93 SQPDTIDHDL103 LLLQLSEKAT113 LGPAVRPLPW 124A QRVDRDVAPG133 TLCDVAGWGI143 VNHAGRRPDS154 LQHVLLPVLD164 RATCNRRTHH 172 DGAITERLMC182 AESNRRDSCK192 GDSGGPLVCG202 GVLEGVVTSG216 SRVCGNRKKP 225 GIYTRVASYA235 AWIDSVLASA245
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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 .J7B or .J7B2 or .J7B3 or :3J7B;style chemicals stick;color identity;select .A:41 or .A:42 or .A:57 or .A:58 or .A:60 or .A:61 or .A:189 or .A:190 or .A:191 or .A:192 or .A:193 or .A:194 or .A:195 or .A:213 or .A:214 or .A:215 or .A:218 or .A:219 or .A:220 or .A:226 or .A:227; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU41
3.626
CYS42
3.760
HIS57
2.695
CYS58
3.852
GLU60
3.650
ASP61
3.529
ASP189
3.105
SER190
3.012
CYS191
3.282
LYS192
3.478
GLY193
2.699
|
|||||
| Ligand Name: 2-[2-[[3-[3-[(1~{S})-1-azanyl-2-oxidanyl-ethyl]phenyl]phenyl]methoxy]phenyl]ethanoic acid | Ligand Info | |||||
| Structure Description | Complement factor D in complex with the inhibitor (S)-2-(2-((3'-(1-amino-2-hydroxyethyl)-[1,1'-biphenyl]-3-yl)methoxy)phenyl)acetic acid | PDB:6QMR | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [3] |
| PDB Sequence |
ILGGREAEAH
25 ARPYMASVQL35 NGAHLCGGVL46 VAEQWVLSAA56 HCLEDAADGK63 VQVLLGAHSL 73 SQPEPSKRLY83 DVLRAVPHPD93 SQPDTIDHDL103 LLLQLSEKAT113 LGPAVRPLPW 124A QRVDRDVAPG133 TLCDVAGWGI143 VNHAGRRPDS154 LQHVLLPVLD164 RATCNRRTHH 172 DGAITERLMC182 AESNRRDSCK192 GDSGGPLVCG202 GVLEGVVTSG216 SRVCGNRKKP 225 GIYTRVASYA235 AWIDSVLASA245
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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 .J6T or .J6T2 or .J6T3 or :3J6T;style chemicals stick;color identity;select .A:41 or .A:42 or .A:57 or .A:58 or .A:189 or .A:190 or .A:191 or .A:192 or .A:193 or .A:194 or .A:195 or .A:213 or .A:214 or .A:215 or .A:216 or .A:217 or .A:218 or .A:219 or .A:220 or .A:225 or .A:226 or .A:227 or .A:228; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU41
3.654
CYS42
3.714
HIS57
2.657
CYS58
3.863
ASP189
3.036
SER190
2.770
CYS191
3.389
LYS192
3.408
GLY193
2.722
ASP194
3.263
SER195
2.722
VAL213
3.712
|
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| Ligand Name: (2~{S})-~{N}1-(1-methylindol-3-yl)-~{N}2-[3-(trifluoromethyloxy)phenyl]pyrrolidine-1,2-dicarboxamide | Ligand Info | |||||
| Structure Description | Complement factor D in complex with the inhibitor (S)-Pyrrolidine-1,2-dicarboxylic acid 1-[(1-methyl-1H-indol-3-yl)-amide] 2-[(3-trifluoromethoxy-phenyl)-amide] | PDB:5NAT | ||||
| Method | X-ray diffraction | Resolution | 1.17 Å | Mutation | No | [4] |
| PDB Sequence |
ILGGREAEAH
25 ARPYMASVQL35 NGAHLCGGVL46 VAEQWVLSAA56 HCLEDAADGK63 VQVLLGAHSL 73 SQPEPSKRLY83 DVLRAVPHPD93 SQPDTIDHDL103 LLLQLSEKAT113 LGPAVRPLPW 124A QRVDRDVAPG133 TLCDVAGWGI143 VNHAGRRPDS154 LQHVLLPVLD164 RATCNRRTHH 172 DGAITERLMC182 AESNRRDSCK192 GDSGGPLVCG202 GVLEGVVTSG216 SRVCGNRKKP 225 GIYTRVASYA235 AWIDSVLA
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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 .8RT or .8RT2 or .8RT3 or :38RT;style chemicals stick;color identity;select .A:40 or .A:41 or .A:42 or .A:57 or .A:58 or .A:141 or .A:142 or .A:143 or .A:151 or .A:152 or .A:190 or .A:191 or .A:192 or .A:193 or .A:194 or .A:195 or .A:214 or .A:215 or .A:216 or .A:217 or .A:218 or .A:220; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
HIS40
3.436
LEU41
2.622
CYS42
3.634
HIS57
3.531
CYS58
3.592
TRP141
3.300
GLY142
3.518
ILE143
3.577
ARG151
3.195
PRO152
4.969
SER190
4.356
|
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| Ligand Name: (1~{r},3~{s},5~{r})-~{n}2-(1-Aminocarbonylindol-3-Yl)-~{n}3-[3-(Trifluoromethyloxy)phenyl]-2-Azabicyclo[3.1.0]hexane-2,3-Dicarboxamide | Ligand Info | |||||
| Structure Description | Complement factor D in complex with the inhibitor (1R,3S,5R)-2-Aza-bicyclo[3.1.0]hexane-2,3-dicarboxylic acid 2-[(1-carbamoyl-1H-indol-3-yl)-amide] 3-[(3-trifluoromethoxy-phenyl)-amide] | PDB:5NAW | ||||
| Method | X-ray diffraction | Resolution | 1.25 Å | Mutation | No | [4] |
| PDB Sequence |
ILGGREAEAH
25 ARPYMASVQL35 NGAHLCGGVL46 VAEQWVLSAA56 HCLEDAADGK63 VQVLLGAHSL 73 SQPEPSKRLY83 DVLRAVPHPD93 SQPDTIDHDL103 LLLQLSEKAT113 LGPAVRPLPW 124A QRVDRDVAPG133 TLCDVAGWGI143 VNHAGRRPDS154 LQHVLLPVLD164 RATCNRRTHH 172 DGAITERLMC182 AESNRRDSCK192 GDSGGPLVCG202 GVLEGVVTSG216 SRVCGNRKKP 225 GIYTRVASYA235 AWIDSVLA
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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 .8RZ or .8RZ2 or .8RZ3 or :38RZ;style chemicals stick;color identity;select .A:40 or .A:41 or .A:42 or .A:57 or .A:58 or .A:141 or .A:142 or .A:143 or .A:151 or .A:152 or .A:190 or .A:191 or .A:192 or .A:193 or .A:194 or .A:195 or .A:213 or .A:214 or .A:215 or .A:216 or .A:217 or .A:218 or .A:220 or .A:227; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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HIS40
3.397
LEU41
2.820
CYS42
3.772
HIS57
3.544
CYS58
3.603
TRP141
3.318
GLY142
3.550
ILE143
3.482
ARG151
3.249
PRO152
4.890
SER190
3.649
CYS191
3.574
|
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| Ligand Name: 5-Fluoranyl-3-[[(1~{s},2~{s})-2-Phenylcyclopropyl]carbonylamino]-1~{h}-Indole-2-Carboxylic Acid | Ligand Info | |||||
| Structure Description | COMPLEMENT FACTOR D IN COMPLEX WITH A REVERSIBLE INDOLE CARBOXYLIC ACID BASED INHIBITOR | PDB:5MT0 | ||||
| Method | X-ray diffraction | Resolution | 1.29 Å | Mutation | No | [5] |
| PDB Sequence |
ILGGREAEAH
25 ARPYMASVQL35 NGAHLCGGVL46 VAEQWVLSAA56 HCLEDAADGK63 VQVLLGAHSL 73 SQPEPSKRLY83 DVLRAVPHPD93 SQPDTIDHDL103 LLLQLSEKAT113 LGPAVRPLPW 124A QRVDRDVAPG133 TLCDVAGWGI143 VNHAGRRPDS154 LQHVLLPVLD164 RATCNRRTHH 172 DGAITERLMC182 AESNRRDSCK192 GDSGGPLVCG202 GVLEGVVTSG216 SRVCGNRKKP 225 GIYTRVASYA235 AWIDSVLASA245
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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 .QJS or .QJS2 or .QJS3 or :3QJS;style chemicals stick;color identity;select .A:40 or .A:41 or .A:42 or .A:57 or .A:58 or .A:141 or .A:142 or .A:143 or .A:151 or .A:191 or .A:192 or .A:193 or .A:194 or .A:195 or .A:214 or .A:215 or .A:216; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: (2~{S})-2-[[4-[[3-(aminomethyl)phenyl]amino]quinazolin-2-yl]amino]-3-methyl-butanoic acid | Ligand Info | |||||
| Structure Description | Complement factor D in complex with the inhibitor (4-((3-(aminomethyl)phenyl)amino)quinazolin-2-yl)-L-valine | PDB:6FUH | ||||
| Method | X-ray diffraction | Resolution | 1.37 Å | Mutation | No | [6] |
| PDB Sequence |
ILGGREAEAH
25 ARPYMASVQL35 NGAHLCGGVL46 VAEQWVLSAA56 HCLEDAADGK63 VQVLLGAHSL 73 SQPEPSKRLY83 DVLRAVPHPD93 SQPDTIDHDL103 LLLQLSEKAT113 LGPAVRPLPW 124A QRVDRDVAPG133 TLCDVAGWGI143 VNHAGRRPDS154 LQHVLLPVLD164 RATCNRRTHH 172 DGAITERLMC182 AESNRRDSCK192 GDSGGPLVCG202 GVLEGVVTSG216 SRVCGNRKKP 225 GIYTRVASYA235 AWIDSVLA
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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 .E88 or .E882 or .E883 or :3E88;style chemicals stick;color identity;select .A:41 or .A:42 or .A:57 or .A:58 or .A:189 or .A:190 or .A:191 or .A:192 or .A:193 or .A:194 or .A:195 or .A:213 or .A:214 or .A:215 or .A:217 or .A:218 or .A:219 or .A:220 or .A:226 or .A:227 or .A:228; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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LEU41
4.266
CYS42
3.675
HIS57
3.577
CYS58
4.063
ASP189
3.024
SER190
2.869
CYS191
3.299
LYS192
3.499
GLY193
2.776
ASP194
3.877
SER195
2.728
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| Ligand Name: (1~{R},2~{S})-2-[[4-[[3-(aminomethyl)phenyl]amino]quinazolin-2-yl]amino]cyclohexane-1-carboxylic acid | Ligand Info | |||||
| Structure Description | Complement factor D in complex with the inhibitor 3-((3-((3-(aminomethyl)phenyl)amino)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino)phenol | PDB:6FUI | ||||
| Method | X-ray diffraction | Resolution | 1.38 Å | Mutation | No | [6] |
| PDB Sequence |
ILGGREAEAH
25 ARPYMASVQL35 NGAHLCGGVL46 VAEQWVLSAA56 HCLEDAADGK63 VQVLLGAHSL 73 SQPEPSKRLY83 DVLRAVPHPD93 SQPDTIDHDL103 LLLQLSEKAT113 LGPAVRPLPW 124A QRVDRDVAPG133 TLCDVAGWGI143 VNHAGRRPDS154 LQHVLLPVLD164 RATCNRRTHH 172 DGAITERLMC182 AESNRRDSCK192 GDSGGPLVCG202 GVLEGVVTSG216 SRVCGNRKKP 225 GIYTRVASYA235 AWIDSVL
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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 .E7W or .E7W2 or .E7W3 or :3E7W;style chemicals stick;color identity;select .A:41 or .A:42 or .A:57 or .A:58 or .A:189 or .A:190 or .A:191 or .A:192 or .A:193 or .A:194 or .A:195 or .A:213 or .A:214 or .A:215 or .A:217 or .A:218 or .A:219 or .A:220 or .A:226; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Methyl (S)-2-((2-((3-(trifluoromethoxy)phenyl)carbamoyl)pyrrolidine-1-carboxamido)-methyl)benzoate | Ligand Info | |||||
| Structure Description | COMPLEMENT FACTOR D IN COMPLEX WITH COMPOUND2 | PDB:5FBE | ||||
| Method | X-ray diffraction | Resolution | 1.43 Å | Mutation | No | [7] |
| PDB Sequence |
ILGGREAEAH
25 ARPYMASVQL35 NGAHLCGGVL46 VAEQWVLSAA56 HCLEDAADGK63 VQVLLGAHSL 73 SQPEPSKRLY83 DVLRAVPHPD93 SQPDTIDHDL103 LLLQLSEKAT113 LGPAVRPLPW 124A QRVDRDVAPG133 TLCDVAGWGI143 VNHAGRRPDS154 LQHVLLPVLD164 RATCNRRTHH 172 DGAITERLMC182 AESNRRDSCK192 GDSGGPLVCG202 GVLEGVVTSG216 SRVCGNRKKP 225 GIYTRVASYA235 AWIDSVLA
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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 .5W5 or .5W52 or .5W53 or :35W5;style chemicals stick;color identity;select .A:40 or .A:41 or .A:42 or .A:57 or .A:58 or .A:141 or .A:142 or .A:143 or .A:149 or .A:151 or .A:152 or .A:190 or .A:191 or .A:192 or .A:193 or .A:194 or .A:195 or .A:213 or .A:214 or .A:215 or .A:216 or .A:217 or .A:218 or .A:219 or .A:220; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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HIS40
3.600
LEU41
2.711
CYS42
3.664
HIS57
3.447
CYS58
3.577
TRP141
3.135
GLY142
3.548
ILE143
3.464
GLY149
4.840
ARG151
3.117
PRO152
4.828
SER190
3.598
CYS191
3.411
|
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| Ligand Name: 3-(((2-Carbamoyl-1H-indol-5-yl)oxy)methyl)benzoic acid | Ligand Info | |||||
| Structure Description | COMPLEMENT FACTOR D IN COMPLEX WITH COMPOUND 3b | PDB:5FBI | ||||
| Method | X-ray diffraction | Resolution | 1.47 Å | Mutation | No | [7] |
| PDB Sequence |
ILGGREAEAH
25 ARPYMASVQL35 NGAHLCGGVL46 VAEQWVLSAA56 HCLEDAADGK63 VQVLLGAHSL 73 SQPEPSKRLY83 DVLRAVPHPD93 SQPDTIDHDL103 LLLQLSEKAT113 LGPAVRPLPW 124A QRVDRDVAPG133 TLCDVAGWGI143 VNHAGRRPDS154 LQHVLLPVLD164 RATCNRRTHH 172 DGAITERLMC182 AESNRRDSCK192 GDSGGPLVCG202 GVLEGVVTSG216 SRVCGNRKKP 225 GIYTRVASYA235 AWIDSVLA
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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 .5WD or .5WD2 or .5WD3 or :35WD;style chemicals stick;color identity;select .A:190 or .A:191 or .A:192 or .A:195 or .A:213 or .A:214 or .A:215 or .A:216 or .A:217 or .A:218 or .A:220; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 3-[3-(aminomethyl)phenyl]-~{N}-[(1~{S})-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide | Ligand Info | |||||
| Structure Description | Complement factor D in complex with the inhibitor (S)-3'-(aminomethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-[1,1'-biphenyl]-3-carboxamide | PDB:6FUT | ||||
| Method | X-ray diffraction | Resolution | 1.50 Å | Mutation | No | [6] |
| PDB Sequence |
ILGGREAEAH
25 ARPYMASVQL35 NGAHLCGGVL46 VAEQWVLSAA56 HCLEGKVQVL67 LGAHSLSQPE 77 PSKRLYDVLR87 AVPHPDSQPD97 TIDHDLLLLQ107 LSEKATLGPA119 VRPLPWQRVD 128 RDVAPGTLCD137 VAGWGIVNHA147 GRRPDSLQHV158 LLPVLDRATC168 NRRTHHDGAI 176 TERLMCAESN186 RRDSCKGDSG196 GPLVCGGVLE210 GVVTSGSRVC220 GNRKKPGIYT 229 RVASYAAWID239 SVLASAAA
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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 .E82 or .E822 or .E823 or :3E82;style chemicals stick;color identity;select .A:17 or .A:143 or .A:145 or .A:146 or .A:189 or .A:190 or .A:191 or .A:192 or .A:193 or .A:195 or .A:213 or .A:214 or .A:215 or .A:216 or .A:217 or .A:218 or .A:219 or .A:220 or .A:225 or .A:226; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU17
4.591
ILE143
3.999
ASN145
4.544
HIS146
3.292
ASP189
4.131
SER190
3.453
CYS191
3.360
LYS192
3.556
GLY193
4.777
SER195
3.467
|
|||||
| Ligand Name: (2~{s})-~{n}1-(1-Aminocarbonylindol-3-Yl)-~{n}2-[3-(Trifluoromethyloxy)phenyl]pyrrolidine-1,2-Dicarboxamide | Ligand Info | |||||
| Structure Description | Complement factor D in complex with the inhibitor (S)-pyrrolidine-1,2-dicarboxylic acid 1-[(1-carbamoyl-1H-indol-3-yl)-amide] 2-[(3-trifluoromethoxy-phenyl)-amide] | PDB:5NAR | ||||
| Method | X-ray diffraction | Resolution | 1.55 Å | Mutation | No | [4] |
| PDB Sequence |
ILGGREAEAH
25 ARPYMASVQL35 NGAHLCGGVL46 VAEQWVLSAA56 HCLEGKVQVL67 LGAHSLSQPE 77 PSKRLYDVLR87 AVPHPDSQPD97 TIDHDLLLLQ107 LSEKATLGPA119 VRPLPWQRVD 128 RDVAPGTLCD137 VAGWGIVNHA147 GRRPDSLQHV158 LLPVLDRATC168 NTERLMCAES 185 NRRDSCKGDS195 GGPLVCGGVL209 EGVVTSGSRV219 CGNRKKPGIY228 TRVASYAAWI 238 DSVLASA
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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 .8RW or .8RW2 or .8RW3 or :38RW;style chemicals stick;color identity;select .A:40 or .A:41 or .A:42 or .A:57 or .A:58 or .A:141 or .A:142 or .A:143 or .A:151 or .A:152 or .A:190 or .A:191 or .A:192 or .A:193 or .A:194 or .A:195 or .A:213 or .A:214 or .A:215 or .A:216 or .A:217 or .A:218 or .A:220 or .A:227; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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HIS40
3.517
LEU41
2.861
CYS42
3.706
HIS57
3.707
CYS58
4.029
TRP141
3.384
GLY142
3.637
ILE143
3.531
ARG151
3.299
PRO152
4.580
SER190
3.737
CYS191
3.361
|
|||||
| Ligand Name: 2-[(Phenylmethyl)carbamoylamino]benzoic Acid | Ligand Info | |||||
| Structure Description | COMPLEMENT FACTOR D IN COMPLEX WITH A REVERSIBLE BENZOIC ACID BASED INHIBITOR | PDB:5MT4 | ||||
| Method | X-ray diffraction | Resolution | 1.65 Å | Mutation | No | [5] |
| PDB Sequence |
ILGGREAEAH
25 ARPYMASVQL35 NGAHLCGGVL46 VAEQWVLSAA56 HCLEDAADGK63 VQVLLGAHSL 73 SQPEPSKRLY83 DVLRAVPHPD93 SQPDTIDHDL103 LLLQLSEKAT113 LGPAVRPLPW 124A QRVDRDVAPG133 TLCDVAGWGI143 VNHAGRRPDS154 LQHVLLPVLD164 RATCNRRTHH 172 DGAITERLMC182 AESNRRDSCK192 GDSGGPLVCG202 GVLEGVVTSG216 SRVCGNRKKP 225 GIYTRVASYA235 AWIDSVLA
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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 .M7O or .M7O2 or .M7O3 or :3M7O;style chemicals stick;color identity;select .A:40 or .A:41 or .A:42 or .A:57 or .A:58 or .A:61 or .A:141 or .A:142 or .A:143 or .A:151 or .A:192 or .A:193 or .A:194 or .A:195 or .A:214 or .A:215 or .A:216; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-N-[3-(aminomethyl)phenyl]-1H-indole-2,4-dicarboxamide | Ligand Info | |||||
| Structure Description | COMPLEMENT FACTOR D COMPLEXED WITH COMPOUND 6 | PDB:6FTZ | ||||
| Method | X-ray diffraction | Resolution | 1.67 Å | Mutation | No | [6] |
| PDB Sequence |
ILGGREAEAH
25 ARPYMASVQL35 NGAHLCGGVL46 VAEQWVLSAA56 HCLEDAADGK63 VQVLLGAHSL 73 SQPEPSKRLY83 DVLRAVPHPD93 SQPDTIDHDL103 LLLQLSEKAT113 LGPAVRPLPW 124A QRVDRDVAPG133 TLCDVAGWGI143 VNHAGRRPDS154 LQHVLLPVLD164 RATCNRRTHH 172 DGAITERLMC182 AESNRRDSCK192 GDSGGPLVCG202 GVLEGVVTSG216 SRVCGNRKKP 225 GIYTRVASYA235 AWIDSVLA
|
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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 .E7E or .E7E2 or .E7E3 or :3E7E;style chemicals stick;color identity;select .A:189 or .A:190 or .A:191 or .A:192 or .A:193 or .A:194 or .A:195 or .A:213 or .A:214 or .A:215 or .A:217 or .A:218 or .A:219 or .A:220 or .A:226 or .A:227 or .A:228; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-[[(5~{S},7~{R})-3-azanyl-1-adamantyl]carbonylamino]-1~{H}-indole-2-carboxamide | Ligand Info | |||||
| Structure Description | COMPLEMENT FACTOR D COMPLEXED WITH COMPOUND 5 | PDB:6FTY | ||||
| Method | X-ray diffraction | Resolution | 1.67 Å | Mutation | No | [6] |
| PDB Sequence |
ILGGREAEAH
25 ARPYMASVQL35 NGAHLCGGVL46 VAEQWVLSAA56 HCLEDAADGK63 VQVLLGAHSL 73 SQPEPSKRLY83 DVLRAVPHPD93 SQPDTIDHDL103 LLLQLSEKAT113 LGPAVRPLPW 124A QRVDRDVAPG133 TLCDVAGWGI143 VNHAGRRPDS154 LQHVLLPVLD164 RATCNRRTHH 172 DGAITERLMC182 AESNRRDSCK192 GDSGGPLVCG202 GVLEGVVTSG216 SRVCGNRKKP 225 GIYTRVASYA235 AWIDSVLA
|
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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 .E7H or .E7H2 or .E7H3 or :3E7H;style chemicals stick;color identity;select .A:41 or .A:42 or .A:57 or .A:58 or .A:60 or .A:190 or .A:191 or .A:192 or .A:193 or .A:194 or .A:195 or .A:213 or .A:214 or .A:215 or .A:216 or .A:217 or .A:218 or .A:220; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: (2~{s},4~{s})-~{n}1-(1-Aminocarbonylindol-3-Yl)-4-Azanyl-~{n}2-[3-(Trifluoromethyloxy)phenyl]pyrrolidine-1,2-Dicarboxamide | Ligand Info | |||||
| Structure Description | Complement factor D in complex with the inhibitor (2S,4S)-4-Amino-pyrrolidine-1,2-dicarboxylic acid 1-[(1-carbamoyl-1H-indol-3-yl)-amide] 2-[(3-trifluoromethoxy-phenyl)-amide] | PDB:5NB6 | ||||
| Method | X-ray diffraction | Resolution | 1.75 Å | Mutation | No | [4] |
| PDB Sequence |
ILGGREAEAH
25 ARPYMASVQL35 NGAHLCGGVL46 VAEQWVLSAA56 HCLEGKVQVL67 LGAHSLSQPE 77 PSKRLYDVLR87 AVPHPDSQPD97 TIDHDLLLLQ107 LSEKATLGPA119 VRPLPWQRVD 128 RDVAPGTLCD137 VAGWGIVNHA147 GRRPDSLQHV158 LLPVLDRATC168 NERLMCAESN 186 RRDSCKGDSG196 GPLVCGGVLE210 GVVTSGSRVC220 GNRKKPGIYT229 RVASYAAWID 239 SVLASA
|
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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 .8S2 or .8S22 or .8S23 or :38S2;style chemicals stick;color identity;select .A:40 or .A:41 or .A:42 or .A:57 or .A:58 or .A:141 or .A:142 or .A:143 or .A:149 or .A:151 or .A:152 or .A:190 or .A:191 or .A:192 or .A:193 or .A:194 or .A:195 or .A:213 or .A:214 or .A:215 or .A:216 or .A:217 or .A:218 or .A:220; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
HIS40
3.476
LEU41
2.984
CYS42
3.718
HIS57
3.445
CYS58
4.302
TRP141
3.183
GLY142
3.786
ILE143
3.372
GLY149
4.835
ARG151
3.091
PRO152
4.513
SER190
3.958
|
|||||
| Ligand Name: 1-[2-[(1~{r},3~{s},5~{r})-3-[[(1~{r})-1-(3-Chloranyl-2-Fluoranyl-Phenyl)ethyl]carbamoyl]-2-Azabicyclo[3.1.0]hexan-2-Yl]-2-Oxidanylidene-Ethyl]pyrazolo[3,4-C]pyridine-3-Carboxamide | Ligand Info | |||||
| Structure Description | COMPLEMENT FACTOR D IN COMPLEX WITH COMPOUND 5 | PDB:5FCK | ||||
| Method | X-ray diffraction | Resolution | 1.86 Å | Mutation | No | [7] |
| PDB Sequence |
ILGGREAEAH
25 ARPYMASVQL35 NGAHLCGGVL46 VAEQWVLSAA56 HCLDGKVQVL67 LGAHSLSQPE 77 PSKRLYDVLR87 AVPHPDSQPD97 TIDHDLLLLQ107 LSEKATLGPA119 VRPLPWQRVD 128 RDVAPGTLCD137 VAGWGIVNHA147 GRRPDSLQHV158 LLPVLDRATC168 NRRTHHDGAI 176 TERLMCAESN186 RRDSCKGDSG196 GPLVCGGVLE210 GVVTSGSRVC220 GNRKKPGIYT 229 RVASYAAWID239 SVLAS
|
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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 .5WC or .5WC2 or .5WC3 or :35WC;style chemicals stick;color identity;select .A:40 or .A:41 or .A:42 or .A:57 or .A:58 or .A:141 or .A:142 or .A:143 or .A:151 or .A:190 or .A:191 or .A:192 or .A:193 or .A:194 or .A:195 or .A:213 or .A:214 or .A:215 or .A:216 or .A:217 or .A:218 or .A:220 or .A:227; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
HIS40
3.412
LEU41
2.938
CYS42
3.613
HIS57
3.335
CYS58
3.449
TRP141
3.133
GLY142
3.715
ILE143
3.394
ARG151
3.205
SER190
3.657
CYS191
3.375
LYS192
3.185
|
|||||
| Ligand Name: 3-[[3-[[3-(aminomethyl)phenyl]amino]-1~{H}-pyrazolo[3,4-d]pyrimidin-4-yl]amino]phenol | Ligand Info | |||||
| Structure Description | Complement factor D in complex with the inhibitor 3-((3-((3-(aminomethyl)phenyl)amino)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino)phenol | PDB:6FUG | ||||
| Method | X-ray diffraction | Resolution | 2.21 Å | Mutation | No | [6] |
| PDB Sequence |
ILGGREAEAH
25 ARPYMASVQL35 NGAHLCGGVL46 VAEQWVLSAA56 HCLGKVQVLL68 GAHSLSQPEP 78 SKRLYDVLRA88 VPHPDSQPDT98 IDHDLLLLQL108 SEKATLGPAV120 RPLPWQRVDR 129 DVAPGTLCDV138 AGWGIVNHAG149 RRPDSLQHVL159 LPVLDRATCN169 RAITERLMCA 183 ESNRRDSCKG193 DSGGPLVCGG207 VLEGVVTRVC220 GNRKKPGIYT229 RVASYAAWID 239 SVLASA
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .E85 or .E852 or .E853 or :3E85;style chemicals stick;color identity;select .A:143 or .A:146 or .A:189 or .A:190 or .A:191 or .A:192 or .A:195 or .A:213 or .A:214 or .A:218 or .A:219 or .A:220 or .A:221 or .A:226 or .A:227; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-[3-[3-(aminomethyl)phenyl]phenyl]-3-methylbutanamide | Ligand Info | |||||
| Structure Description | Complement factor D in complex with the inhibitor N-(3'-(aminomethyl)-[1,1'-biphenyl]-3-yl)-3-methylbutanamide | PDB:6FUJ | ||||
| Method | X-ray diffraction | Resolution | 2.25 Å | Mutation | No | [6] |
| PDB Sequence |
ILGGREAEAH
25 ARPYMASVQL35 NGAHLCGGVL46 VAEQWVLSAA56 HCLEDAADGK63 VQVLLGAHSL 73 SQPEPSKRLY83 DVLRAVPHPD93 SQPDTIDHDL103 LLLQLSEKAT113 LGPAVRPLPW 124A QRVDRDVAPG133 TLCDVAGWGI143 VNHAGRRPDS154 LQHVLLPVLD164 RATCNRRTHH 172 DGAITERLMC182 AESNRRDSCK192 GDSGGPLVCG202 GVLEGVVTSG216 SRVCGNRKKP 225 GIYTRVASYA235 AWIDSVLA
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .E8B or .E8B2 or .E8B3 or :3E8B;style chemicals stick;color identity;select .A:41 or .A:42 or .A:57 or .A:58 or .A:189 or .A:190 or .A:191 or .A:192 or .A:193 or .A:194 or .A:195 or .A:213 or .A:214 or .A:215 or .A:217 or .A:218 or .A:219 or .A:220 or .A:226; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: Complement factor D-IN-1 | Ligand Info | |||||
| Structure Description | Complement factor D | PDB:5NB7 | ||||
| Method | X-ray diffraction | Resolution | 1.33 Å | Mutation | No | [4] |
| PDB Sequence |
ILGGREAEAH
25 ARPYMASVQL35 NGAHLCGGVL46 VAEQWVLSAA56 HCLEDAADGK63 VQVLLGAHSL 73 SQPEPSKRLY83 DVLRAVPHPD93 SQPDTIDHDL103 LLLQLSEKAT113 LGPAVRPLPW 124A QRVDRDVAPG133 TLCDVAGWGI143 VNHAGRRPDS154 LQHVLLPVLD164 RATCNRRTHH 172 DGAITERLMC182 AESNRRDSCK192 GDSGGPLVCG202 GVLEGVVTSG216 SRVCGNRKKP 225 GIYTRVASYA235 AWIDSVLASA245
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .8NQ or .8NQ2 or .8NQ3 or :38NQ;style chemicals stick;color identity;select .A:40 or .A:41 or .A:42 or .A:57 or .A:58 or .A:60 or .A:141 or .A:142 or .A:143 or .A:151 or .A:190 or .A:191 or .A:192 or .A:193 or .A:195 or .A:213 or .A:214 or .A:215 or .A:216 or .A:217 or .A:218 or .A:220; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
HIS40
3.746
LEU41
2.842
CYS42
3.839
HIS57
3.393
CYS58
3.529
GLU60
3.982
TRP141
3.061
GLY142
3.726
ILE143
3.832
ARG151
3.820
SER190
3.866
|
|||||
| Ligand Name: (2~{s},4~{r})-~{n}1-(1-Aminocarbonylindol-3-Yl)-4-Fluoranyl-~{n}2-[3-(Trifluoromethyloxy)phenyl]pyrrolidine-1,2-Dicarboxamide | Ligand Info | |||||
| Structure Description | Complement factor D in complex with the inhibitor (2S,4R)-4-Fluoro-pyrrolidine-1,2-dicarboxylic acid 1-[(1-carbamoyl-1H-indol-3-yl)-amide] 2-[(3-trifluoromethoxy-phenyl)-amide] | PDB:5NBA | ||||
| Method | X-ray diffraction | Resolution | 1.87 Å | Mutation | No | [4] |
| PDB Sequence |
ILGGREAEAH
25 ARPYMASVQL35 NGAHLCGGVL46 VAEQWVLSAA56 HCLEKVQVLL68 GAHSLSQPEP 78 SKRLYDVLRA88 VPHPDSQPDT98 IDHDLLLLQL108 SEKATLGPAV120 RPLPWQRVDR 129 DVAPGTLCDV138 AGWGIVNHAG149 RRPDSLQHVL159 LPVLDRATCN169 RRTHHDGAIT 177 ERLMCAESNR187 RDSCKGDSGG197 PLVCGGVLEG211 VVTSGSRVCG221 NRKKPGIYTR 230 VASYAAWIDS240 VLASA
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .8S5 or .8S52 or .8S53 or :38S5;style chemicals stick;color identity;select .A:40 or .A:41 or .A:42 or .A:57 or .A:58 or .A:141 or .A:142 or .A:143 or .A:151 or .A:152 or .A:190 or .A:191 or .A:192 or .A:193 or .A:194 or .A:195 or .A:213 or .A:214 or .A:215 or .A:216 or .A:217 or .A:218 or .A:220; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
HIS40
3.466
LEU41
2.822
CYS42
3.451
HIS57
3.137
CYS58
3.041
TRP141
3.218
GLY142
3.629
ILE143
3.463
ARG151
3.265
PRO152
4.839
SER190
3.578
CYS191
3.390
|
|||||
| Ligand Name: N-(6-bromopyridin-2-yl)-1-[(3-cyanophenyl)acetyl]-L-prolinamide | Ligand Info | |||||
| Structure Description | Scaffold Hopping via Ring Opening Enables Identification of Acyclic Compounds as New Complement Factor D Inhibitors | PDB:8D95 | ||||
| Method | X-ray diffraction | Resolution | 2.17 Å | Mutation | No | [8] |
| PDB Sequence |
ILGGREAEAH
10 ARPYMASVQL20 NGAHLCGGVL30 VAEQWVLSAA40 HCLEGKVQVL54 LGAHSLSQPE 64 PSKRLYDVLR74 AVPHPDSQPD84 TIDHDLLLLQ94 LSEKATLGPA104 VRPLPWQRVD 114 RDVAPGTLCD124 VAGWGIVNHA134 GRRPDSLQHV144 LLPVLDRATC154 NRRTHTERLM 169 CAESNRRDSC179 KGDSGGPLVC189 GGVLEGVVTS199 GSRVCGNRKK209 PGIYTRVASY 219 AAWIDSVLAS229 A
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .QIE or .QIE2 or .QIE3 or :3QIE;style chemicals stick;color identity;select .A:24 or .A:25 or .A:26 or .A:41 or .A:42 or .A:128 or .A:129 or .A:130 or .A:137 or .A:179 or .A:180 or .A:181 or .A:183 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:204; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 1-[(3-acetylphenyl)acetyl]-N-(6-bromopyridin-2-yl)-L-prolinamide | Ligand Info | |||||
| Structure Description | Scaffold Hopping via Ring Opening Enables Identification of Acyclic Compounds as New Complement Factor D Inhibitors | PDB:8DEA | ||||
| Method | X-ray diffraction | Resolution | 2.21 Å | Mutation | No | [8] |
| PDB Sequence |
ILGGREAEAH
10 ARPYMASVQL20 NGAHLCGGVL30 VAEQWVLSAA40 HCLEGKVQVL54 LGAHSLSQPE 64 PSKRLYDVLR74 AVPHPDSQPD84 TIDHDLLLLQ94 LSEKATLGPA104 VRPLPWQRVD 114 RDVAPGTLCD124 VAGWGIVNHA134 GRRPDSLQHV144 LLPVLDRATC154 NTERLMCAES 173 NRRDSCKGDS183 GGPLVCGGVL193 EGVVTSGSRV203 CGNRKKPGIY213 TRVASYAAWI 223 DSVLASA
|
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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 .R7X or .R7X2 or .R7X3 or :3R7X;style chemicals stick;color identity;select .A:24 or .A:25 or .A:26 or .A:41 or .A:42 or .A:44 or .A:128 or .A:129 or .A:130 or .A:137 or .A:178 or .A:179 or .A:180 or .A:181 or .A:183 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:204; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
HIS24
3.892
LEU25
2.685
CYS26
4.188
HIS41
3.430
CYS42
4.344
GLU44
4.733
TRP128
3.406
GLY129
3.795
ILE130
4.152
ARG137
3.165
SER178
3.543
|
|||||
| Ligand Name: Isatoic anhydride | Ligand Info | |||||
| Structure Description | HUMAN COMPLEMENT FACTOR D IN COMPLEX WITH ISATOIC ANHYDRIDE INHIBITOR | PDB:1BIO | ||||
| Method | X-ray diffraction | Resolution | 1.50 Å | Mutation | No | [9] |
| PDB Sequence |
ILGGREAEAH
25 ARPYMASVQL35 NGAHLCGGVL46 VAEQWVLSAA56 HCLEDAADGK63 VQVLLGAHSL 73 SQPEPSKRLY83 DVLRAVPHPD93 SQPDTIDHDL103 LLLQLSEKAT113 LGPAVRPLPW 124A QRVDRDVAPG133 TLCDVAGWGI143 VNHAGRRPDS154 LQHVLLPVLD164 RATCNRRTHH 172 DGAITERLMC182 AESNRRDSCK192 GDSGGPLVCG202 GVLEGVVTSG216 SRVCGNRKKP 225 GIYTRVASYA235 AWIDSVLA
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SOA or .SOA2 or .SOA3 or :3SOA;style chemicals stick;color identity;select .A:190 or .A:191 or .A:192 or .A:193 or .A:195 or .A:213 or .A:214 or .A:215 or .A:216 or .A:217 or .A:218 or .A:220; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 1-{2-[(2S)-2-{[(3-chloro-2-fluorophenyl)methyl]carbamoyl}pyrrolidin-1-yl]-2-oxoethyl}-1H-indazole-3-carboxamide | Ligand Info | |||||
| Structure Description | Scaffold Hopping via Ring Opening Enables Identification of Acyclic Compounds as New Complement Factor D Inhibitors | PDB:8DG6 | ||||
| Method | X-ray diffraction | Resolution | 1.99 Å | Mutation | No | [8] |
| PDB Sequence |
ILGGREAEAH
10 ARPYMASVQN21 GAHLCGGVLV31 AEQWVLSAAH41 CLVQVLLGAH58 SLSQPEPSKR 68 LYDVLRAVPH78 PDSQPDTIDH88 DLLLLQLSEK98 ATLGPAVRPL108 PWQRVDRDVA 118 PGTLCDVAGW128 GIVNHAGRRP138 DSLQHVLLPV148 LDRATCNRTE166 RLMCAESNRR 176 DSCKGDSGGP186 LVCGGVLEGV196 VTSGSRVCGN206 RKKPGIYTRV216 ASYAAWIDSV 226 LA
|
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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 .S7X or .S7X2 or .S7X3 or :3S7X;style chemicals stick;color identity;select .A:24 or .A:25 or .A:26 or .A:41 or .A:42 or .A:128 or .A:129 or .A:130 or .A:137 or .A:178 or .A:179 or .A:180 or .A:181 or .A:182 or .A:183 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:204 or .A:212; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
HIS24
3.397
LEU25
2.785
CYS26
3.570
HIS41
3.404
CYS42
4.069
TRP128
3.286
GLY129
3.750
ILE130
3.683
ARG137
3.532
SER178
3.663
CYS179
3.265
LYS180
3.277
|
|||||
| Ligand Name: 1-(2-{(2s)-2-[(6-Bromopyridin-2-Yl)carbamoyl]-1,3-Thiazolidin-3-Yl}-2-Oxoethyl)-1h-Pyrazolo[3,4-B]pyridine-3-Carboxamide | Ligand Info | |||||
| Structure Description | Complement Factor D inhibited with JH3 | PDB:5TCA | ||||
| Method | X-ray diffraction | Resolution | 3.15 Å | Mutation | No | [10] |
| PDB Sequence |
ILGGREAEAH
25 ARPYMASVQL35 NGAHLCGGVL45 VAEQWVLSAA55 HCLEDAADGK65 VQVLLGAHSL 75 SQPEPSKRLY85 DVLRAVPHPD95 SQPDTIDHDL105 LLLQLSEKAT115 LGPAVRPLPW 125 QRVDRDVAPG135 TLCDVAGWGI145 VNHAGRRPDS155 LQHVLLPVLD165 RATCNRRTHH 175 DGAITERLMC185 AESNRRDSCK195 GDSGGPLVCG205 GVLEGVVTSG215 SRVCGNRKKP 225 GIYTRVASYA235 AWIDSVLA
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .J55 or .J552 or .J553 or :3J55;style chemicals stick;color identity;select .A:39 or .A:40 or .A:41 or .A:56 or .A:57 or .A:143 or .A:144 or .A:145 or .A:152 or .A:193 or .A:194 or .A:195 or .A:196 or .A:197 or .A:198 or .A:212 or .A:213 or .A:214 or .A:215 or .A:216 or .A:217 or .A:219; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
HIS39
3.887
LEU40
2.727
CYS41
3.732
HIS56
3.475
CYS57
3.625
TRP143
3.411
GLY144
3.917
ILE145
4.036
ARG152
3.373
SER193
3.750
CYS194
3.319
|
|||||
| Ligand Name: (2s)-N-(6-Bromopyridin-2-Yl)-3-[(1h-Indazol-1-Yl)acetyl]-1,3-Thiazolidine-2-Carboxamide | Ligand Info | |||||
| Structure Description | Complement Factor D inhibited with JH4 | PDB:5TCC | ||||
| Method | X-ray diffraction | Resolution | 3.37 Å | Mutation | No | [10] |
| PDB Sequence |
ILGGREAEAH
25 ARPYMASVQL35 NGAHLCGGVL45 VAEQWVLSAA55 HCLEDAADGK65 VQVLLGAHSL 75 SQPEPSKRLY85 DVLRAVPHPD95 SQPDTIDHDL105 LLLQLSEKAT115 LGPAVRPLPW 125 QRVDRDVAPG135 TLCDVAGWGI145 VNHAGRRPDS155 LQHVLLPVLD165 RATCNRRTHH 175 DGAITERLMC185 AESNRRDSCK195 GDSGGPLVCG205 GVLEGVVTSG215 SRVCGNRKKP 225 GIYTRVASYA235 AWIDSVLA
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .J56 or .J562 or .J563 or :3J56;style chemicals stick;color identity;select .A:39 or .A:40 or .A:41 or .A:56 or .A:57 or .A:143 or .A:144 or .A:145 or .A:152 or .A:194 or .A:195 or .A:196 or .A:197 or .A:198 or .A:213 or .A:214 or .A:215 or .A:216 or .A:217 or .A:218 or .A:219; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
HIS39
3.789
LEU40
2.813
CYS41
3.805
HIS56
3.316
CYS57
3.475
TRP143
3.509
GLY144
3.867
ILE145
3.943
ARG152
3.486
CYS194
3.964
LYS195
3.480
|
|||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Structure of 3,4-dichloroisocoumarin-inhibited factor D. Acta Crystallogr D Biol Crystallogr. 1998 Sep 1;54(Pt 5):711-7. | ||||
| REF 2 | Structure of diisopropyl fluorophosphate-inhibited factor D. Acta Crystallogr D Biol Crystallogr. 1997 Mar 1;53(Pt 2):143-50. | ||||
| REF 3 | Design, Synthesis, and Preclinical Characterization of Selective Factor D Inhibitors Targeting the Alternative Complement Pathway. J Med Chem. 2019 May 9;62(9):4656-4668. | ||||
| REF 4 | Discovery of Highly Potent and Selective Small-Molecule Reversible Factor D Inhibitors Demonstrating Alternative Complement Pathway Inhibition in Vivo. J Med Chem. 2017 Jul 13;60(13):5717-5735. | ||||
| REF 5 | Structure-Based Library Design and Fragment Screening for the Identification of Reversible Complement Factor D Protease Inhibitors. J Med Chem. 2017 Mar 9;60(5):1946-1958. | ||||
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