Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T55922 | Target Info | |||
| Target Name | S-adenosylmethionine decarboxylase proenzyme (AMD1) | ||||
| Synonyms | SamDC; S-adenosylmethioninedecarboxylase; AdoMetDC; AMD | ||||
| Target Type | Successful Target | ||||
| Gene Name | AMD1 | ||||
| Biochemical Class | Carbon-carbon lyase | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | Pyruvic acid | Ligand Info | |||
| Canonical SMILES | CC(=O)C(=O)O | ||||
| InChI | 1S/C3H4O3/c1-2(4)3(5)6/h1H3,(H,5,6) | ||||
| InChIKey | LCTONWCANYUPML-UHFFFAOYSA-N | ||||
| PubChem Compound ID | 1060 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 3DZ6 Human AdoMetDC with 5'-[(4-aminooxybutyl)methylamino]-5'deoxy-8-ethyladenosine | ||||||
| Method | X-ray diffraction | Resolution | 1.83 Å | Mutation | No | [1] |
| PDB Sequence |
> Chain A
SMFVSKRRFI 78 LKTCGTTLLL88 KALVPLLKLA98 RDYSGFDSIQ108 SFFYSRKNFM118 KPSHQGYPHR 128 NFQEEIEFLN138 AIFPNGAAYC148 MGRMNSDCWY158 LYTLDFDQTL177 EILMSELDPA 187 VMDQFYMKDG197 VTAKDVTRES207 GIRDLIPGSV217 IDATMFNPCG227 YSMNGMKSDG 237 TYWTIHITPE247 PEFSYVSFET257 NLSQTSYDDL267 IRKVVEVFKP277 GKFVTTLFVN 287 IEGFKRLDCQ311 SAMFNDYNFV321 FTSFAKK> Chain B HFFEGTEKLL 14 EVWFSRGSGD31 LRTIPRSEWD41 ILLKDVQCSI51 ISVTKTDKQE61 AYVLSE |
|||||
|
|
||||||
| PDB ID: 3DZ4 Human AdoMetDC with 5'-[(2-carboxamidoethyl)methylamino]-5'-deoxy-8-methyladenosine | ||||||
| Method | X-ray diffraction | Resolution | 1.84 Å | Mutation | No | [1] |
| PDB Sequence |
> Chain A
SMFVSKRRFI 78 LKTCGTTLLL88 KALVPLLKLA98 RDYSGFDSIQ108 SFFYSRKNFM118 KPSHQGYPHR 128 NFQEEIEFLN138 AIFPNGAAYC148 MGRMNSDCWY158 LYTLDFSQPD174 QTLEILMSEL 184 DPAVMDQFYM194 KDGVTAKDVT204 RESGIRDLIP214 GSVIDATMFN224 PCGYSMNGMK 234 SDGTYWTIHI244 TPEPEFSYVS254 FETNLSQTSY264 DDLIRKVVEV274 FKPGKFVTTL 284 FVNQSSKCRK301 IEGFKRLDCQ311 SAMFNDYNFV321 FTSFAK> Chain B AHFFEGTEKL 13 LEVWFSRQQP23 QGSGDLRTIP36 RSEWDILLKD46 VQCSIISVTK56 TDKQEAYVLS 66 E
|
|||||
|
|
||||||
| PDB ID: 3DZ2 Human AdoMetDC with 5'-[(3-aminopropyl)methylamino]-5'deoxy-8-methyladenosine | ||||||
| Method | X-ray diffraction | Resolution | 1.86 Å | Mutation | No | [1] |
| PDB Sequence |
> Chain A
SMFVSKRRFI 78 LKTCGTTLLL88 KALVPLLKLA98 RDYSGFDSIQ108 SFFYSRKNFM118 KPSHQGYPHR 128 NFQEEIEFLN138 AIFPNGAAYC148 MGRMNSDCWY158 LYTLDFPESQ172 PDQTLEILMS 182 ELDPAVMDQF192 YMKDGVTAKD202 VTRESGIRDL212 IPGSVIDATM222 FNPCGYSMNG 232 MKSDGTYWTI242 HITPEPEFSY252 VSFETNLSQT262 SYDDLIRKVV272 EVFKPGKFVT 282 TLFVNQSSKC292 EGFKRLDCQS312 AMFNDYNFVF322 TSFAK> Chain B AHFFEGTEKL 13 LEVWFSRQQQ27 GSGDLRTIPR37 SEWDILLKDV47 QCSIISVTKT57 DKQEAYVLSE 67
|
|||||
|
|
||||||
| PDB ID: 1I7B HUMAN S-ADENOSYLMETHIONINE DECARBOXYLASE WITH COVALENTLY BOUND PYRUVOYL GROUP AND COVALENTLY BOUND S-ADENOSYLMETHIONINE METHYL ESTER | ||||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [2] |
| PDB Sequence |
> Chain A
SMFVSKRRFI 78 LKTCGTTLLL88 KALVPLLKLA98 RDYSGFDSIQ108 SFFYSRKNFM118 KPSHQGYPHR 128 NFQEEIEFLN138 AIFPNGAGYC148 MGRMNSDCWY158 LYTLDFPESQ172 PDQTLEILMS 182 ELDPAVMDQF192 YMKDGVTAKD202 VTRESGIRDL212 IPGSVIDATM222 FNPCGYSMNG 232 MKSDGTYWTI242 HITPEPEFSY252 VSFETNLSQT262 SYDDLIRKVV272 EVFKPGKFVT 282 TLFVNQSSKC292 PQKIEGFKRL308 DCQSAMFNDY318 NFVFTSFAKK328 > Chain B AHFFEGTEKL 13 LEVWFSRQQP23 QGSGDLRTIP36 RSEWDILLKD46 VQCSIISVTK56 TDKQEAYVLS 66 E
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .PYR or .PYR2 or .PYR3 or :3PYR;style chemicals stick;color identity;select .A:69 or .A:70 or .A:80 or .A:81 or .A:82 or .A:229 or .A:243 or .B:11 or .B:63 or .B:64 or .B:65; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 3DZ7 Human AdoMetDC with 5'-[(carboxamidomethyl)methylamino]-5'-deoxy-8-methyladenosine | ||||||
| Method | X-ray diffraction | Resolution | 1.91 Å | Mutation | No | [1] |
| PDB Sequence |
> Chain A
SMFVSKRRFI 78 LKTCGTTLLL88 KALVPLLKLA98 RDYSGFDSIQ108 SFFYSRKNFM118 KPSHQGYPHR 128 NFQEEIEFLN138 AIFPNGAAYC148 MGRMNSDCWY158 LYTLDFPDQT176 LEILMSELDP 186 AVMDQFYMKD196 GVTAKDVTRE206 SGIRDLIPGS216 VIDATMFNPC226 GYSMNGMKSD 236 GTYWTIHITP246 EPEFSYVSFE256 TNLSQTSYDD266 LIRKVVEVFK276 PGKFVTTLFV 286 NQSSKCIEGF305 KRLDCQSAMF315 NDYNFVFTSF325 AK> Chain B AHFFEGTEKL 13 LEVWFSRQQP23 QGSGDLRTIP36 RSEWDILLKD46 VQCSIISVTK56 TDKQEAYVLS 66 E
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .PYR or .PYR2 or .PYR3 or :3PYR;style chemicals stick;color identity;select .A:69 or .A:70 or .A:80 or .A:81 or .A:82 or .A:229 or .A:243 or .B:11 or .B:63 or .B:64 or .B:65 or .B:66; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 1I72 HUMAN S-ADENOSYLMETHIONINE DECARBOXYLASE WITH COVALENTLY BOUND PYRUVOYL GROUP AND COVALENTLY BOUND 5'-DEOXY-5'-[N-METHYL-N-(2-AMINOOXYETHYL) AMINO]ADENOSINE | ||||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [2] |
| PDB Sequence |
> Chain A
SMFVSKRRFI 78 LKTCGTTLLL88 KALVPLLKLA98 RDYSGFDSIQ108 SFFYSRKNFM118 KPSHQGYPHR 128 NFQEEIEFLN138 AIFPNGAGYC148 MGRMNSDCWY158 LYTLDFPESQ172 PDQTLEILMS 182 ELDPAVMDQF192 YMKDGVTAKD202 VTRESGIRDL212 IPGSVIDATM222 FNPCGYSMNG 232 MKSDGTYWTI242 HITPEPEFSY252 VSFETNLSQT262 SYDDLIRKVV272 EVFKPGKFVT 282 TLFVNQSSKC292 RPQKIEGFKR307 LDCQSAMFND317 YNFVFTSFAK327 K > Chain B AHFFEGTEKL 13 LEVWFSRQQP23 QGSGDLRTIP36 RSEWDILLKD46 VQCSIISVTK56 TDKQEAYVLS 66 E
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .PYR or .PYR2 or .PYR3 or :3PYR;style chemicals stick;color identity;select .A:69 or .A:70 or .A:80 or .A:81 or .A:82 or .A:229 or .A:243 or .B:11 or .B:63 or .B:64 or .B:65; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 1I79 HUMAN S-ADENOSYLMETHIONINE DECARBOXYLASE WITH COVALENTLY BOUND PYRUVOYL GROUP AND COVALENTLY BOUND 5'-DEOXY-5'-[(3-HYDRAZINOPROPYL)METHYLAMINO]ADENOSINE | ||||||
| Method | X-ray diffraction | Resolution | 2.01 Å | Mutation | No | [2] |
| PDB Sequence |
> Chain A
SMFVSKRRFI 78 LKTCGTTLLL88 KALVPLLKLA98 RDYSGFDSIQ108 SFFYSRKNFM118 KPSHQGYPHR 128 NFQEEIEFLN138 AIFPNGAGYC148 MGRMNSDCWY158 LYTLDFPESQ172 PDQTLEILMS 182 ELDPAVMDQF192 YMKDGVTAKD202 VTRESGIRDL212 IPGSVIDATM222 FNPCGYSMNG 232 MKSDGTYWTI242 HITPEPEFSY252 VSFETNLSQT262 SYDDLIRKVV272 EVFKPGKFVT 282 TLFVNQSSKC292 RPQKIEGFKR307 LDCQSAMFND317 YNFVFTSFAK327 K > Chain B AHFFEGTEKL 13 LEVWFSRQQP23 QGSGDLRTIP36 RSEWDILLKD46 VQCSIISVTK56 TDKQEAYVLS 66 E
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .PYR or .PYR2 or .PYR3 or :3PYR;style chemicals stick;color identity;select .A:69 or .A:70 or .A:80 or .A:81 or .A:82 or .A:229 or .A:243 or .B:11 or .B:63 or .B:64 or .B:65; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 1I7M HUMAN S-ADENOSYLMETHIONINE DECARBOXYLASE WITH COVALENTLY BOUND PYRUVOYL GROUP AND COMPLEXED WITH 4-AMIDINOINDAN-1-ONE-2'-AMIDINOHYDRAZONE | ||||||
| Method | X-ray diffraction | Resolution | 2.24 Å | Mutation | Yes | [2] |
| PDB Sequence |
> Chain A
SFVSKRRFIL 79 KTCGTTLLLK89 ALVPLLKLAR99 DYSGFDSIQS109 FFYSRKNFKP120 SHQGYPHRNF 130 QEEIEFLNAI140 FPNGAGYCGR151 NSDCWYLYTL162 DFQPDQTLEI179 LSELDPAVDQ 191 FYKDGVTAKD202 VTRESGIRDL212 IPGSVIDATF223 NPCGYSNGKS235 DGTYWTIHIT 245 PEPEFSYVSF255 ETNLSQTSYD265 DLIRKVVEVF275 KPGKFVTTLF285 VNQSSKCPQK 301 IEGFKRLDCQ311 SAFNDYNFVF322 TSFAKKQ> Chain B AHFFEGTEKL 13 LEVWFSRGSG30 DLRTIPRSEW40 DILLKDVQCS50 IISVTKTDKQ60 EAYVLSE |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .PYR or .PYR2 or .PYR3 or :3PYR;style chemicals stick;color identity;select .A:69 or .A:80 or .A:81 or .A:82 or .A:229 or .A:243 or .B:11 or .B:63 or .B:64 or .B:65 or .B:67; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 1I7C HUMAN S-ADENOSYLMETHIONINE DECARBOXYLASE WITH COVALENTLY BOUND PYRUVOYL GROUP AND COMPLEXED WITH METHYLGLYOXAL BIS-(GUANYLHYDRAZONE) | ||||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | No | [2] |
| PDB Sequence |
> Chain A
SMFVSKRRFI 78 LKTCGTTLLL88 KALVPLLKLA98 RDYSGFDSIQ108 SFFYSRKNFM118 KPSHQGYPHR 128 NFQEEIEFLN138 AIFPNGAGYC148 MGRMNSDCWY158 LYTLDFPESR168 VISQPDQTLE 178 ILMSELDPAV188 MDQFYMKDGV198 TAKDVTRESG208 IRDLIPGSVI218 DATMFNPCGY 228 SMNGMKSDGT238 YWTIHITPEP248 EFSYVSFETN258 LSQTSYDDLI268 RKVVEVFKPG 278 KFVTTLFVNQ288 STVLASPQKI302 EGFKRLDCQS312 AMFNDYNFVF322 TSFAKKQ > Chain B AHFFEGTEKL 13 LEVWFSRQQP23 QGSGDLRTIP36 RSEWDILLKD46 VQCSIISVTK56 TDKQEAYVLS 66 E
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .PYR or .PYR2 or .PYR3 or :3PYR;style chemicals stick;color identity;select .A:69 or .A:70 or .A:80 or .A:81 or .A:82 or .A:229 or .A:243 or .B:11 or .B:63 or .B:64 or .B:65 or .B:66; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 3DZ5 Human AdoMetDC with covalently bound 5'-[(2-aminooxyethyl)methylamino]-5'-deoxy-8-methyladenosine | ||||||
| Method | X-ray diffraction | Resolution | 2.43 Å | Mutation | No | [1] |
| PDB Sequence |
> Chain A
SMFVSKRRFI 78 LKTCGTTLLL88 KALVPLLKLA98 RDYSGFDSIQ108 SFFYSRKNFM118 KPSHQGYPHR 128 NFQEEIEFLN138 AIFPNGAAYC148 MGRMNSDCWY158 LYTLDSQPDQ175 TLEILMSELD 185 PAVMDQFYMK195 DGVTAKDVTR205 ESGIRDLIPG215 SVIDATMFNP225 CGYSMNGMKS 235 DGTYWTIHIT245 PEPEFSYVSF255 ETNLSQTSYD265 DLIRKVVEVF275 KPGKFVTTLF 285 VNQSSQKIEG304 FKRLDCQSAM314 FNDYNFVFTS324 FAKK> Chain B AHFFEGTEKL 13 LEVWFGSGDL32 RTIPRSEWDI42 LLKDVQCSII52 SVTKTDKQEA62 YVLSE |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .PYR or .PYR2 or .PYR3 or :3PYR;style chemicals stick;color identity;select .A:69 or .A:70 or .A:80 or .A:81 or .A:82 or .A:229 or .A:243 or .B:63 or .B:64 or .B:65; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 3DZ3 Human AdoMetDC F223A mutant with covalently bound S-Adenosylmethionine methyl ester | ||||||
| Method | X-ray diffraction | Resolution | 2.62 Å | Mutation | Yes | [1] |
| PDB Sequence |
> Chain A
SMFVSKRRFI 78 LKTCGTTLLL88 KALVPLLKLA98 RDYSGFDSIQ108 SFFYSRKNFM118 KPSHQGYPHR 128 NFQEEIEFLN138 AIFPNGAAYC148 MGRMNSDCWY158 LYTLDFPEQP173 DQTLEILMSE 183 LDPAVMDQFY193 MKDGVTAKDV203 TRESGIRDLI213 PGSVIDATMA223 NPCGYSMNGM 233 KSDGTYWTIH243 ITPEPEFSYV253 SFETNLSQTS263 YDDLIRKVVE273 VFKPGKFVTT 283 LFVNQQKIEG304 FKRLDCQSAM314 FNDYNFVFTS324 FAKK> Chain B AHFFEGTEKL 13 LEVWFSRQQP23 QGSGDLRTIP36 RSEWDILLKD46 VQCSIISVTK56 TDKQEAYVLS 66 E
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .PYR or .PYR2 or .PYR3 or :3PYR;style chemicals stick;color identity;select .A:69 or .A:70 or .A:80 or .A:81 or .A:82 or .A:243 or .B:11 or .B:63 or .B:64 or .B:65; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 3H0W Human AdoMetDC with 5'-Deoxy-5'-[(N-dimethyl)amino]-8-methyl-adenosine | ||||||
| Method | X-ray diffraction | Resolution | 1.81 Å | Mutation | No | [3] |
| PDB Sequence |
> Chain A
SMFVSKRRFI 78 LKTCGTTLLL88 KALVPLLKLA98 RDYSGFDSIQ108 SFFYSRKNFM118 KPSHQGYPHR 128 NFQEEIEFLN138 AIFPNGAAYC148 MGRMNSDCWY158 LYTLDFDQTL177 EILMSELDPA 187 VMDQFYMKDG197 VTAKDVTRES207 GIRDLIPGSV217 IDATMFNPCG227 YSMNGMKSDG 237 TYWTIHITPE247 PEFSYVSFET257 NLSQTSYDDL267 IRKVVEVFKP277 GKFVTTLFVN 287 QKIEGFKRLD309 CQSAMFNDYN319 FVFTSFAK> Chain B AHFFEGTEKL 13 LEVWFSRQQP23 QGSGDLRTIP36 RSEWDILLKD46 VQCSIISVTK56 TDKQEAYVLS 66 E
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .PYR or .PYR2 or .PYR3 or :3PYR;style chemicals stick;color identity;select .A:69 or .A:70 or .A:80 or .A:81 or .A:82 or .A:229 or .A:243 or .B:11 or .B:63 or .B:64 or .B:65; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 3H0V Human AdoMetDC with 5'-Deoxy-5'-(dimethylsulfonio) adenosine | ||||||
| Method | X-ray diffraction | Resolution | 2.24 Å | Mutation | No | [3] |
| PDB Sequence |
> Chain A
SMFVSKRRFI 78 LKTCGTTLLL88 KALVPLLKLA98 RDYSGFDSIQ108 SFFYSRKNFM118 KPSHQGYPHR 128 NFQEEIEFLN138 AIFPNGAAYC148 MGRMNSDCWY158 LYTLDFPDQT176 LEILMSELDP 186 AVMDQFYMKD196 GVTAKDVTRE206 SGIRDLIPGS216 VIDATMFNPC226 GYSMNGMKSD 236 GTYWTIHITP246 EPEFSYVSFE256 TNLSQTSYDD266 LIRKVVEVFK276 PGKFVTTLFV 286 NQKIEGFKRL308 DCQSAMFNDY318 NFVFTSFAK> Chain B HFFEGTEKLL 14 EVWFSRQQGS29 GDLRTIPRSE39 WDILLKDVQC49 SIISVTKTDK59 QEAYVLSE |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .PYR or .PYR2 or .PYR3 or :3PYR;style chemicals stick;color identity;select .A:69 or .A:70 or .A:80 or .A:81 or .A:82 or .A:229 or .A:243 or .B:11 or .B:63 or .B:64 or .B:65; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 3EP6 Human AdoMetDC D174N mutant complexed with S-Adenosylmethionine methyl ester and no putrescine bound | ||||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | Yes | [4] |
| PDB Sequence |
> Chain A
SMFVSKRRFI 78 LKTCGTTLLL88 KALVPLLKLA98 RDYSGFDSIQ108 SFFYSRKNFM118 KPSHQGYPHR 128 NFQEEIEFLN138 AIFPNGAAYC148 MGRMNSDCWY158 LYTLDFNQTL177 EILMSELDPA 187 VMDQFYMKDG197 VTAKDVTRES207 GIRDLIPGSV217 IDATMFNPCG227 YSMNGMKSDG 237 TYWTIHITPE247 PEFSYVSFET257 NLSQTSYDDL267 IRKVVEVFKP277 GKFVTTLFVN 287 QPQKIEGFKR307 LDCQSAMFND317 YNFVFTSFAK327 > Chain B AHFFEGTEKL 13 LEVWFSRGSG30 DLRTIPRSEW40 DILLKDVQCS50 IISVTKTDKQ60 EAYVLSE |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .PYR or .PYR2 or .PYR3 or :3PYR;style chemicals stick;color identity;select .A:69 or .A:70 or .A:80 or .A:81 or .A:82 or .A:229 or .A:243 or .B:63 or .B:64 or .B:65; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 3EPB Human AdoMetDC E256Q mutant complexed with putrescine | ||||||
| Method | X-ray diffraction | Resolution | 1.75 Å | Mutation | Yes | [4] |
| PDB Sequence |
> Chain A
SMFVSKRRFI 78 LKTCGTTLLL88 KALVPLLKLA98 RDYSGFDSIQ108 SFFYSRKNFM118 KPSHQGYPHR 128 NFQEEIEFLN138 AIFPNGAAYC148 MGRMNSDCWY158 LYTLDFPPDQ175 TLEILMSELD 185 PAVMDQFYMK195 DGVTAKDVTR205 ESGIRDLIPG215 SVIDATMFNP225 CGYSMNGMKS 235 DGTYWTIHIT245 PEPEFSYVSF255 QTNLSQTSYD265 DLIRKVVEVF275 KPGKFVTTLF 285 VNQSSKCRTV295 LASPQKIEGF305 KRLDCQSAMF315 NDYNFVFTSF325 AKK > Chain B HFFEGTEKLL 14 EVWFSGSGDL32 RTIPRSEWDI42 LLKDVQCSII52 SVTKTDKQEA62 YVLSE |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .PYR or .PYR2 or .PYR3 or :3PYR;style chemicals stick;color identity;select .A:69 or .A:70 or .A:80 or .A:81 or .A:82 or .A:229 or .A:243 or .B:63 or .B:64 or .B:65 or .B:66; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 3EP3 Human AdoMetDC D174N mutant with no putrescine bound | ||||||
| Method | X-ray diffraction | Resolution | 1.84 Å | Mutation | Yes | [4] |
| PDB Sequence |
> Chain A
SMFVSKRRFI 78 LKTCGTTLLL88 KALVPLLKLA98 RDYSGFDSIQ108 SFFYSRKNFM118 KPSHQGYPHR 128 NFQEEIEFLN138 AIFPNGAAYC148 MGRMNSDCWY158 LYTLDFSQPN174 QTLEILMSEL 184 DPAVMDQFYM194 KDGVTAKDVT204 RESGIRDLIP214 GSVIDATMFN224 PCGYSMNGMK 234 SDGTYWTIHI244 TPEPEFSYVS254 FETNLSQTSY264 DDLIRKVVEV274 FKPGKFVTTL 284 FVNQKIEGFK306 RLDCQSAMFN316 DYNFVFTSFA326 KK> Chain B HFFEGTEKLL 14 EVWFSSGDLR33 TIPRSEWDIL43 LKDVQCSIIS53 VTKTDKQEAY63 VLSE |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .PYR or .PYR2 or .PYR3 or :3PYR;style chemicals stick;color identity;select .A:69 or .A:70 or .A:80 or .A:81 or .A:82 or .A:229 or .A:243 or .B:63 or .B:64 or .B:65 or .B:66; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 3EP4 Human AdoMetDC E256Q mutant with no putrescine bound | ||||||
| Method | X-ray diffraction | Resolution | 1.89 Å | Mutation | Yes | [4] |
| PDB Sequence |
> Chain A
SMFVSKRRFI 78 LKTCGTTLLL88 KALVPLLKLA98 RDYSGFDSIQ108 SFFYSRKNFM118 KPSHQGYPHR 128 NFQEEIEFLN138 AIFPNGAAYC148 MGRMNSDCWY158 LYTLDFDQTL177 EILMSELDPA 187 VMDQFYMKDG197 VTAKDVTRES207 GIRDLIPGSV217 IDATMFNPCG227 YSMNGMKSDG 237 TYWTIHITPE247 PEFSYVSFQT257 NLSQTSYDDL267 IRKVVEVFKP277 GKFVTTLFVN 287 QSQKIEGFKR307 LDCQSAMFND317 YNFVFTSFAK327 K> Chain B AHFFEGTEKL 13 LEVWFSGSGD31 LRTIPRSEWD41 ILLKDVQCSI51 ISVTKTDKQE61 AYVLSE |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .PYR or .PYR2 or .PYR3 or :3PYR;style chemicals stick;color identity;select .A:69 or .A:70 or .A:80 or .A:81 or .A:82 or .A:229 or .A:243 or .B:11 or .B:63 or .B:64 or .B:65 or .B:66; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 3EP8 Human AdoMetDC E178Q mutant complexed with S-Adenosylmethionine methyl ester and no putrescine bound | ||||||
| Method | X-ray diffraction | Resolution | 1.97 Å | Mutation | Yes | [4] |
| PDB Sequence |
> Chain A
SMFVSKRRFI 78 LKTCGTTLLL88 KALVPLLKLA98 RDYSGFDSIQ108 SFFYSRKNFM118 KPSHQGYPHR 128 NFQEEIEFLN138 AIFPNGAAYC148 MGRMNSDCWY158 LYTLDFPDQT176 LQILMSELDP 186 AVMDQFYMKD196 GVTAKDVTRE206 SGIRDLIPGS216 VIDATMFNPC226 GYSMNGMKSD 236 GTYWTIHITP246 EPEFSYVSFE256 TNLSQTSYDD266 LIRKVVEVFK276 PGKFVTTLFV 286 NQKIEGFKRL308 DCQSAMFNDY318 NFVFTSFAKK328 > Chain B AHFFEGTEKL 13 LEVWFSQGSG30 DLRTIPRSEW40 DILLKDVQCS50 IISVTKTDKQ60 EAYVLSE |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .PYR or .PYR2 or .PYR3 or :3PYR;style chemicals stick;color identity;select .A:69 or .A:70 or .A:80 or .A:81 or .A:82 or .A:229 or .A:243 or .B:11 or .B:63 or .B:64 or .B:65; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 3EP5 Human AdoMetDC E178Q mutant with no putrescine bound | ||||||
| Method | X-ray diffraction | Resolution | 1.99 Å | Mutation | Yes | [4] |
| PDB Sequence |
> Chain A
SMFVSKRRFI 78 LKTCGTTLLL88 KALVPLLKLA98 RDYSGFDSIQ108 SFFYSRKNFM118 KPSHQGYPHR 128 NFQEEIEFLN138 AIFPNGAAYC148 MGRMNSDCWY158 LYTLDFPDQT176 LQILMSELDP 186 AVMDQFYMKD196 GVTAKDVTRE206 SGIRDLIPGS216 VIDATMFNPC226 GYSMNGMKSD 236 GTYWTIHITP246 EPEFSYVSFE256 TNLSQTSYDD266 LIRKVVEVFK276 PGKFVTTLFV 286 NKIEGFKRLD309 CQSAMFNDYN319 FVFTSFAKK> Chain B HFFEGTEKLL 14 EVWFSRQGSG30 DLRTIPRSEW40 DILLKDVQCS50 IISVTKTDKQ60 EAYVLSE |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .PYR or .PYR2 or .PYR3 or :3PYR;style chemicals stick;color identity;select .A:69 or .A:70 or .A:80 or .A:81 or .A:82 or .A:229 or .A:243 or .B:11 or .B:63 or .B:64 or .B:65 or .B:66; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 3EP7 Human AdoMetDC E256Q mutant complexed with S-Adenosylmethionine methyl ester and no putrescine bound | ||||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | Yes | [4] |
| PDB Sequence |
> Chain A
SMFVSKRRFI 78 LKTCGTTLLL88 KALVPLLKLA98 RDYSGFDSIQ108 SFFYSRKNFM118 KPSHQGYPHR 128 NFQEEIEFLN138 AIFPNGAAYC148 MGRMNSDCWY158 LYTLDFDQTL177 EILMSELDPA 187 VMDQFYMKDG197 VTAKDVTRES207 GIRDLIPGSV217 IDATMFNPCG227 YSMNGMKSDG 237 TYWTIHITPE247 PEFSYVSFQT257 NLSQTSYDDL267 IRKVVEVFKP277 GKFVTTLFVN 287 QKIEGFKRLD309 CQSAMFNDYN319 FVFTSFAKK> Chain B HFFEGTEKLL 14 EVWFSRQGSG30 DLRTIPRSEW40 DILLKDVQCS50 IISVTKTDKQ60 EAYVLSE |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .PYR or .PYR2 or .PYR3 or :3PYR;style chemicals stick;color identity;select .A:69 or .A:70 or .A:80 or .A:81 or .A:82 or .A:229 or .A:243 or .B:11 or .B:63 or .B:64 or .B:65; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 3EPA Human AdoMetDC E178Q mutant complexed with putrescine | ||||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | Yes | [4] |
| PDB Sequence |
> Chain A
SMFVSKRRFI 78 LKTCGTTLLL88 KALVPLLKLA98 RDYSGFDSIQ108 SFFYSRKNFM118 KPSHQGYPHR 128 NFQEEIEFLN138 AIFPNGAAYC148 MGRMNSDCWY158 LYTLDFSQPD174 QTLQILMSEL 184 DPAVMDQFYM194 KDGVTAKDVT204 RESGIRDLIP214 GSVIDATMFN224 PCGYSMNGMK 234 SDGTYWTIHI244 TPEPEFSYVS254 FETNLSQTSY264 DDLIRKVVEV274 FKPGKFVTTL 284 FVNQSSKCRT294 VLASPQKIEG304 FKRLDCQSAM314 FNDYNFVFTS324 FAKK > Chain B HFFEGTEKLL 14 EVWFSSGDLR33 TIPRSEWDIL43 LKDVQCSIIS53 VTKTDKQEAY63 VLSE |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .PYR or .PYR2 or .PYR3 or :3PYR;style chemicals stick;color identity;select .A:69 or .A:70 or .A:80 or .A:81 or .A:82 or .A:229 or .A:243 or .B:11 or .B:63 or .B:64 or .B:65; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 3EP9 Human AdoMetDC with no putrescine bound | ||||||
| Method | X-ray diffraction | Resolution | 2.35 Å | Mutation | No | [4] |
| PDB Sequence |
> Chain A
SMFVSKRRFI 78 LKTCGTTLLL88 KALVPLLKLA98 RDYSGFDSIQ108 SFFYSRKNFM118 KPSHQGYPHR 128 NFQEEIEFLN138 AIFPNGAAYC148 MGRMNSDCWY158 LYTLDFPEQP173 DQTLEILMSE 183 LDPAVMDQFY193 MKDGVTAKDV203 TRESGIRDLI213 PGSVIDATMF223 NPCGYSMNGM 233 KSDGTYWTIH243 ITPEPEFSYV253 SFETNLSQTS263 YDDLIRKVVE273 VFKPGKFVTT 283 LFVNQQKIEG304 FKRLDCQSAM314 FNDYNFVFTS324 FAKK> Chain B HFFEGTEKLL 14 EVWFSQGSGD31 LRTIPRSEWD41 ILLKDVQCSI51 ISVTKTDKQE61 AYVLSE |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .PYR or .PYR2 or .PYR3 or :3PYR;style chemicals stick;color identity;select .A:69 or .A:70 or .A:80 or .A:81 or .A:82 or .A:229 or .A:243 or .B:11 or .B:63 or .B:64 or .B:65; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | New insights into the design of inhibitors of human S-adenosylmethionine decarboxylase: studies of adenine C8 substitution in structural analogues ... J Med Chem. 2009 Mar 12;52(5):1388-407. | ||||
| REF 2 | The structural basis for substrate specificity and inhibition of human S-adenosylmethionine decarboxylase. Biochemistry. 2001 Aug 14;40(32):9484-94. | ||||
| REF 3 | Role of the sulfonium center in determining the ligand specificity of human s-adenosylmethionine decarboxylase. Biochemistry. 2009 Jul 14;48(27):6423-30. | ||||
| REF 4 | Structural basis for putrescine activation of human S-adenosylmethionine decarboxylase. Biochemistry. 2008 Dec 16;47(50):13404-17. | ||||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.