Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T40787 | Target Info | |||
| Target Name | S-methyl-5'-thioadenosine phosphorylase (MTAP) | ||||
| Synonyms | Methylthioadenosine phosphorylase; MTAPase; MTA phosphorylase; MSAP; 5'-methylthioadenosine phosphorylase | ||||
| Target Type | Literature-reported Target | ||||
| Gene Name | MTAP | ||||
| Biochemical Class | Glycosyltransferases | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: Adenine | Ligand Info | |||||
| Structure Description | STRUCTURE OF HUMAN 5'-DEOXY-5'-METHYLTHIOADENOSINE PHOSPHORYLASE AT 1.7 A RESOLUTION | PDB:1CB0 | ||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | Yes | [1] |
| PDB Sequence |
AVKIGIIGGT
18 GLDDPEILEG28 RTEKYVDTPF38 GKPSDALILG48 KIKNVDCVLL58 ARHGRQHTIM 68 PSKVNYQANI78 WALKEEGCTH88 VIVTTACGSL98 REEIQPGDIV108 IIDQFIDRTT 118 MRPQSFYDGS128 HSCARGVCHI138 PMAEPFCPKT148 REVLIETAKK158 LGLRCHSKGT 168 MVTIEGPRFS178 SRAESFMFRT188 WGADVINMTT198 VPEVVLAKEA208 GICYASIAMA 218 TDYDCWAVSV233 DRVLKTLKEN243 ANKAKSLLLT253 TIPQIGSTEW263 SETLHNLKNM 273 AQFSVLLP
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| Ligand Name: Methylthioadenosine | Ligand Info | |||||
| Structure Description | STRUCTURE OF HUMAN 5'-DEOXY-5'-METHYLTHIOADENOSINE PHOSPHORYLASE COMPLEXED WITH 5'-DEOXY-5'-METHYLTHIOADENOSINE AND SULFATE AT 1.7 A RESOLUTION | PDB:1CG6 | ||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | Yes | [1] |
| PDB Sequence |
AVKIGIIGGT
18 GLDDPEILEG28 RTEKYVDTPF38 GKPSDALILG48 KIKNVDCVLL58 ARHGRQHTIM 68 PSKVNYQANI78 WALKEEGCTH88 VIVTTACGSL98 REEIQPGDIV108 IIDQFIDRTT 118 MRPQSFYDGS128 HSCARGVCHI138 PMAEPFCPKT148 REVLIETAKK158 LGLRCHSKGT 168 MVTIEGPRFS178 SRAESFMFRT188 WGADVINMTT198 VPEVVLAKEA208 GICYASIAMA 218 TDYDCWAVSV233 DRVLKTLKEN243 ANKAKSLLLT253 TIPQIGSTEW263 SETLHNLKNM 273 AQFSVLLP
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| Ligand Name: Formycin | Ligand Info | |||||
| Structure Description | STRUCTURE OF HUMAN 5'-DEOXY-5'-METHYLTHIOADENOSINE PHOSPHORYLASE COMPLEXED WITH FORMYCIN A | PDB:1SD1 | ||||
| Method | X-ray diffraction | Resolution | 2.03 Å | Mutation | No | [2] |
| PDB Sequence |
AVKIGIIGGT
18 GLDDPEILEG28 RTEKYVDTPF38 GKPSDALILG48 KIKNVDCVLL58 ARHGRQHTIM 68 PSKVNYQANI78 WALKEEGCTH88 VIVTTACGSL98 REEIQPGDIV108 IIDQFIDRTT 118 MRPQSFYDGS128 HSCARGVCHI138 PMAEPFCPKT148 REVLIETAKK158 LGLRCHSKGT 168 MVTIEGPRFS178 SRAESFMFRT188 WGADVINMTT198 VPEVVLAKEA208 GICYASIAMA 218 TDYDCWAVSV233 DRVLKTLKEN243 ANKAKSLLLT253 TIPQIGSTEW263 SETLHNLKNM 273 AQFSVLLP
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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 .FMC or .FMC2 or .FMC3 or :3FMC;style chemicals stick;color identity;select .A:18 or .A:61 or .A:69 or .A:93 or .A:94 or .A:95 or .A:96 or .A:172 or .A:177 or .A:194 or .A:195 or .A:196 or .A:197 or .A:219 or .A:220 or .A:222 or .A:231 or .A:233 or .A:236; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 5'-Deoxy-5'-(Methylthio)-Tubercidin | Ligand Info | |||||
| Structure Description | Crystal structure of human 5'-deoxy-5'-methylthioadenosine phosphorylase in complex with 5'-methylthiotubercidin at 1.75 angstrom | PDB:5TC7 | ||||
| Method | X-ray diffraction | Resolution | 1.75 Å | Mutation | No | [3] |
| PDB Sequence |
AVKIGIIGGT
18 GLDDPEILEG28 RTEKYVDTPF38 GKPSDALILG48 KIKNVDCVLL58 ARHGRQHTIM 68 PSKVNYQANI78 WALKEEGCTH88 VIVTTACGSL98 REEIQPGDIV108 IIDQFIDRTT 118 MRPQSFYDGS128 HSCARGVCHI138 PMAEPFCPKT148 REVLIETAKK158 LGLRCHSKGT 168 MVTIEGPRFS178 SRAESFMFRT188 WGADVINMTT198 VPEVVLAKEA208 GICYASIAMA 218 TDYDCWKEHE228 EAVSVDRVLK238 TLKENANKAK248 SLLLTTIPQI258 GSTEWSETLH 268 NLKNMAQFSV278 LLP
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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 .MTH or .MTH2 or .MTH3 or :3MTH;style chemicals stick;color identity;select .A:18 or .A:61 or .A:65 or .A:69 or .A:93 or .A:94 or .A:95 or .A:96 or .A:172 or .A:177 or .A:194 or .A:195 or .A:196 or .A:197 or .A:219 or .A:220 or .A:222 or .A:231 or .A:233 or .A:236 or .A:237; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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THR18
3.938
HIS61
3.867
HIS65
4.814
PRO69
3.533
THR93
4.680
ALA94
3.197
CYS95
3.566
GLY96
3.486
ILE172
3.807
PHE177
3.665
ILE194
3.727
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: (3r,4s)-1-[(4-Amino-5h-Pyrrolo[3,2-D]pyrimidin-7-Yl)methyl]-4-{[(4-Chlorophenyl)sulfanyl]methyl}pyrrolidin-3-Ol | Ligand Info | |||||
| Structure Description | Crystal Structure of human 5'-deoxy-5'-methyladenosine phosphorylase in complex with pCl-phenylthioDADMeImmA | PDB:3OZC | ||||
| Method | X-ray diffraction | Resolution | 1.93 Å | Mutation | No | [4] |
| PDB Sequence |
AVKIGIIGGT
18 GLDDPEILEG28 RTEKYVDTPF38 GKPSDALILG48 KIKNVDCVLL58 ARHGRQHTIM 68 PSKVNYQANI78 WALKEEGCTH88 VIVTTACGSL98 REEIQPGDIV108 IIDQFIDRTT 118 MRPQSFYDGS128 HSCARGVCHI138 PMAEPFCPKT148 REVLIETAKK158 LGLRCHSKGT 168 MVTIEGPRFS178 SRAESFMFRT188 WGADVINMTT198 VPEVVLAKEA208 GICYASIAMA 218 TDYDCWKEHE228 EAVSVDRVLK238 TLKENANKAK248 SLLLTTIPQI258 GSTEWSETLH 268 NLKNMAQFSV278 LLP
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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 .4CT or .4CT2 or .4CT3 or :34CT;style chemicals stick;color identity;select .A:18 or .A:61 or .A:65 or .A:69 or .A:94 or .A:95 or .A:96 or .A:172 or .A:177 or .A:194 or .A:195 or .A:196 or .A:197 or .A:219 or .A:220 or .A:222 or .A:231 or .A:233 or .A:236 or .A:237; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: (2S,3S,4R,5S)-2-(4-Amino-4,5-dihydro-1H-pyrrolo[3,2-d]pyrimidin-7-yl)-5-[(methylsulfanyl)methyl]-3,4-pyrrolidinediol | Ligand Info | |||||
| Structure Description | Crystal Structure of 5'-Deoxy-5'-Methylthioadenosine Phosphorylase in Complex with a Transition State Analogue | PDB:1K27 | ||||
| Method | X-ray diffraction | Resolution | 1.95 Å | Mutation | No | [5] |
| PDB Sequence |
AVKIGIIGGT
18 GLDDPEILEG28 RTEKYVDTPF38 GKPSDALILG48 KIKNVDCVLL58 ARHGRQHTIM 68 PSKVNYQANI78 WALKEEGCTH88 VIVTTACGSL98 REEIQPGDIV108 IIDQFIDRTT 118 MRPQSFYDGS128 HSCARGVCHI138 PMAEPFCPKT148 REVLIETAKK158 LGLRCHSKGT 168 MVTIEGPRFS178 SRAESFMFRT188 WGADVINMTT198 VPEVVLAKEA208 GICYASIAMA 218 TDYDCWEEAV231 SVDRVLKTLK241 ENANKAKSLL251 LTTIPQIGST261 EWSETLHNLK 271 NMAQFSVLLP281
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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 .MTM or .MTM2 or .MTM3 or :3MTM;style chemicals stick;color identity;select .A:18 or .A:61 or .A:69 or .A:93 or .A:94 or .A:95 or .A:96 or .A:172 or .A:177 or .A:194 or .A:195 or .A:196 or .A:197 or .A:219 or .A:220 or .A:222 or .A:231 or .A:233 or .A:236 or .A:237; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: (2s,3s,4r,5s)-2-(4-Amino-5h-Pyrrolo[3,2-D]pyrimidin-7-Yl)-5-[(Propylsulfanyl)methyl]pyrrolidine-3,4-Diol | Ligand Info | |||||
| Structure Description | Crystal structure of human 5'-deoxy-5'-methylthioadenosine phosphorylase in complex with propylthio-immucillin-A | PDB:5TC6 | ||||
| Method | X-ray diffraction | Resolution | 1.48 Å | Mutation | No | [6] |
| PDB Sequence |
AVKIGIIGGT
18 GLDDPEILEG28 RTEKYVDTPF38 GKPSDALILG48 KIKNVDCVLL58 ARHGRQHTIM 68 PSKVNYQANI78 WALKEEGCTH88 VIVTTACGSL98 REEIQPGDIV108 IIDQFIDRTT 118 MRPQSFYDGS128 HSCARGVCHI138 PMAEPFCPKT148 REVLIETAKK158 LGLRCHSKGT 168 MVTIEGPRFS178 SRAESFMFRT188 WGADVINMTT198 VPEVVLAKEA208 GICYASIAMA 218 TDYDCWKEHE228 EAVSVDRVLK238 TLKENANKAK248 SLLLTTIPQI258 GSTEWSETLH 268 NLKNMAQFSV278 LLP
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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 .7A6 or .7A62 or .7A63 or :37A6;style chemicals stick;color identity;select .A:18 or .A:61 or .A:65 or .A:69 or .A:93 or .A:94 or .A:95 or .A:96 or .A:172 or .A:177 or .A:194 or .A:195 or .A:196 or .A:197 or .A:219 or .A:220 or .A:222 or .A:231 or .A:233 or .A:236 or .A:237; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
THR18
3.739
HIS61
3.661
HIS65
4.947
PRO69
3.439
THR93
4.459
ALA94
3.131
CYS95
3.528
GLY96
3.398
ILE172
3.738
PHE177
3.658
ILE194
3.759
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| Ligand Name: (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-(pent-4-ynylsulfanylmethyl)pyrrolidin-3-ol | Ligand Info | |||||
| Structure Description | Crystal structure of human 5'-deoxy-5'-methylthioadenosine phosphorylase in complex with (3R,4S)-1-((4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl)-4-((pent-4-yn-1-ylthio)methyl)pyrrolidin-3-ol | PDB:6DZ0 | ||||
| Method | X-ray diffraction | Resolution | 1.62 Å | Mutation | No | [7] |
| PDB Sequence |
TTAVKIGIIG
16 GTGLDDPEIL26 EGRTEKYVDT36 PFGKPSDALI46 LGKIKNVDCV56 LLARHGRQHT 66 IMPSKVNYQA76 NIWALKEEGC86 THVIVTTACG96 SLREEIQPGD106 IVIIDQFIDR 116 TTMRPQSFYD126 GSHSCARGVC136 HIPMAEPFCP146 KTREVLIETA156 KKLGLRCHSK 166 GTMVTIEGPR176 FSSRAESFMF186 RTWGADVINM196 TTVPEVVLAK206 EAGICYASIA 216 MATDYDCWKE226 HEEAVSVDRV236 LKTLKENANK246 AKSLLLTTIP256 QIGSTEWSET 266 LHNLKNMAQF276 SVLL
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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 .OS3 or .OS32 or .OS33 or :3OS3;style chemicals stick;color identity;select .A:18 or .A:61 or .A:65 or .A:69 or .A:94 or .A:95 or .A:96 or .A:172 or .A:177 or .A:194 or .A:195 or .A:196 or .A:197 or .A:219 or .A:220 or .A:222 or .A:231 or .A:233 or .A:236 or .A:237; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Ligand Name: (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-(prop-2-ynylsulfanylmethyl)pyrrolidin-3-ol | Ligand Info | |||||
| Structure Description | Crystal structure of human 5'-deoxy-5'-methylthioadenosine phosphorylase in complex with (3R,4S)-1-((4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl)-4-((prop-2-yn-1-ylthio)methyl)pyrrolidin-3-ol | PDB:6DYZ | ||||
| Method | X-ray diffraction | Resolution | 1.62 Å | Mutation | No | [7] |
| PDB Sequence |
AVKIGIIGGT
18 GLDDPEILEG28 RTEKYVDTPF38 GKPSDALILG48 KIKNVDCVLL58 ARHGRQHTIM 68 PSKVNYQANI78 WALKEEGCTH88 VIVTTACGSL98 REEIQPGDIV108 IIDQFIDRTT 118 MRPQSFYDGS128 HSCARGVCHI138 PMAEPFCPKT148 REVLIETAKK158 LGLRCHSKGT 168 MVTIEGPRFS178 SRAESFMFRT188 WGADVINMTT198 VPEVVLAKEA208 GICYASIAMA 218 TDYDCWKEHE228 EAVSVDRVLK238 TLKENANKAK248 SLLLTTIPQI258 GSTEWSETLH 268 NLKNMAQFSV278 LLP
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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 .OS2 or .OS22 or .OS23 or :3OS2;style chemicals stick;color identity;select .A:18 or .A:61 or .A:65 or .A:69 or .A:94 or .A:95 or .A:96 or .A:172 or .A:177 or .A:194 or .A:195 or .A:196 or .A:197 or .A:219 or .A:220 or .A:222 or .A:231 or .A:233 or .A:236 or .A:237; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: (3R,4S)-1-[(4-Amino-5H-pyrrolo[3,2-D]pyrimidin-7-YL)methyl]-4-[(methylsulfanyl)methyl]pyrrolidin-3-OL | Ligand Info | |||||
| Structure Description | Crystal structure of human 5'-deoxy-5'-methylthioadenosine phosphorylase in complex with methylthio-DADMe-Immucillin-A | PDB:5TC8 | ||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [8] |
| PDB Sequence |
AVKIGIIGGT
18 GLDDPEILEG28 RTEKYVDTPF38 GKPSDALILG48 KIKNVDCVLL58 ARHGRQHTIM 68 PSKVNYQANI78 WALKEEGCTH88 VIVTTACGSL98 REEIQPGDIV108 IIDQFIDRTT 118 MRPQSFYDGS128 HSCARGVCHI138 PMAEPFCPKT148 REVLIETAKK158 LGLRCHSKGT 168 MVTIEGPRFS178 SRAESFMFRT188 WGADVINMTT198 VPEVVLAKEA208 GICYASIAMA 218 TDYDCWKEHE228 EAVSVDRVLK238 TLKENANKAK248 SLLLTTIPQI258 GSTEWSETLH 268 NLKNMAQFSV278 LLP
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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 .TDI or .TDI2 or .TDI3 or :3TDI;style chemicals stick;color identity;select .A:18 or .A:61 or .A:65 or .A:69 or .A:94 or .A:95 or .A:96 or .A:172 or .A:177 or .A:194 or .A:195 or .A:196 or .A:197 or .A:219 or .A:220 or .A:222 or .A:231 or .A:233 or .A:236 or .A:237; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: (2~{r},3~{r},4~{s},5~{s})-2-[2,6-Bis(Azanyl)purin-9-Yl]-5-(Methylsulfanylmethyl)oxolane-3,4-Diol | Ligand Info | |||||
| Structure Description | Crystal structure of human 5'-deoxy-5'-methylthioadenosine phosphorylase in complex with 2-amino-MTA and sulfate | PDB:5EUB | ||||
| Method | X-ray diffraction | Resolution | 1.81 Å | Mutation | No | [9] |
| PDB Sequence |
VKIGIIGGTG
19 LDDPEILEGR29 TEKYVDTPFG39 KPSDALILGK49 IKNVDCVLLA59 RHGRQHTIMP 69 SKVNYQANIW79 ALKEEGCTHV89 IVTTACGSLR99 EEIQPGDIVI109 IDQFIDRTTM 119 RPQSFYDGSH129 SCARGVCHIP139 MAEPFCPKTR149 EVLIETAKKL159 GLRCHSKGTM 169 VTIEGPRFSS179 RAESFMFRTW189 GADVINMTTV199 PEVVLAKEAG209 ICYASIAMAT 219 DYDCWKEHEE229 AVSVDRVLKT239 LKENANKAKS249 LLLTTIPQIG259 STEWSETLHN 269 LKNMAQFSVL279 LP
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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 .5S7 or .5S72 or .5S73 or :35S7;style chemicals stick;color identity;select .A:18 or .A:93 or .A:94 or .A:95 or .A:96 or .A:172 or .A:176 or .A:177 or .A:178 or .A:194 or .A:195 or .A:196 or .A:219 or .A:220 or .A:221 or .A:222 or .A:231 or .A:233 or .A:236 or .A:237; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-({[3-(1-butyl-1H-1,2,3-triazol-4-yl)propyl]sulfanyl}methyl)pyrrolidin-3-ol | Ligand Info | |||||
| Structure Description | Crystal structure of human 5'-deoxy-5'-methylthioadenosine phosphorylase in complex with (3R,4S)-1-((4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl)-4-(((3-(1-butyl-1H-1,2,3-triazol-4-yl)propyl)thio)methyl)pyrrolidin-3-ol | PDB:6DZ3 | ||||
| Method | X-ray diffraction | Resolution | 1.91 Å | Mutation | No | [7] |
| PDB Sequence |
AVKIGIIGGT
18 GLDDPEILEG28 RTEKYVDTPF38 GKPSDALILG48 KIKNVDCVLL58 ARHGRQHTIM 68 PSKVNYQANI78 WALKEEGCTH88 VIVTTACGSL98 REEIQPGDIV108 IIDQFIDRTT 118 MRPQSFYDGS128 HSCARGVCHI138 PMAEPFCPKT148 REVLIETAKK158 LGLRCHSKGT 168 MVTIEGPRFS178 SRAESFMFRT188 WGADVINMTT198 VPEVVLAKEA208 GICYASIAMA 218 TDYDCWKEHE228 EAVSVDRVLK238 TLKENANKAK248 SLLLTTIPQI258 GSTEWSETLH 268 NLKNMAQFSV278 LLP
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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 .OS6 or .OS62 or .OS63 or :3OS6;style chemicals stick;color identity;select .A:16 or .A:18 or .A:61 or .A:69 or .A:92 or .A:93 or .A:94 or .A:95 or .A:96 or .A:172 or .A:177 or .A:194 or .A:195 or .A:196 or .A:217 or .A:219 or .A:220 or .A:222 or .A:231 or .A:233 or .A:236 or .A:237 or .A:240 or .A:244 or .A:247; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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GLY16
4.313
THR18
4.145
HIS61
4.834
PRO69
3.706
THR92
3.377
THR93
4.359
ALA94
3.372
CYS95
3.398
GLY96
3.219
ILE172
3.897
PHE177
3.561
ILE194
3.599
ASN195
3.470
|
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| Ligand Name: (3r,4s)-1-[(4-Amino-5h-Pyrrolo[3,2-D]pyrimidin-7-Yl)methyl]-4-[(Butylsulfanyl)methyl]pyrrolidin-3-Ol | Ligand Info | |||||
| Structure Description | Crystal structure of human 5'-deoxy-5'-methylthioadenosine phosphorylase in complex with butylthio-DADMe-Immucillin-A and chloride | PDB:5TC5 | ||||
| Method | X-ray diffraction | Resolution | 1.96 Å | Mutation | No | [10] |
| PDB Sequence |
HHENLYFQSM
1 ASGAVKIGII15 GGTGLDDPEI25 LEGRTEKYVD35 TPFGKPSDAL45 ILGKIKNVDC 55 VLLARHGRQH65 TIMPSKVNYQ75 ANIWALKEEG85 CTHVIVTTAC95 GSLREEIQPG 105 DIVIIDQFID115 RTTMRPQSFY125 DGSHSCARGV135 CHIPMAEPFC145 PKTREVLIET 155 AKKLGLRCHS165 KGTMVTIEGP175 RFSSRAESFM185 FRTWGADVIN195 MTTVPEVVLA 205 KEAGICYASI215 AMATDYDCWK225 EHEEAVSVDR235 VLKTLKENAN245 KAKSLLLTTI 255 PQIGSTEWSE265 TLHNLKNMAQ275 FSVLLP
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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 .BIG or .BIG2 or .BIG3 or :3BIG;style chemicals stick;color identity;select .A:61 or .A:69 or .A:94 or .A:95 or .A:96 or .A:172 or .A:177 or .A:194 or .A:195 or .A:196 or .A:219 or .A:220 or .A:222 or .A:231 or .A:233 or .A:236 or .A:237 or .A:240; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Ligand Name: (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-({[3-(1-benzyl-1H-1,2,3-triazol-4-yl)propyl]sulfanyl}methyl)pyrrolidin-3-ol | Ligand Info | |||||
| Structure Description | Crystal structure of human 5'-deoxy-5'-methylthioadenosine phosphorylase in complex with (3R,4S)-1-((4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl)-4-(((3-(1-benzyl-1H-1,2,3-triazol-4-yl)propyl)thio)methyl)pyrrolidin-3-ol | PDB:6DZ2 | ||||
| Method | X-ray diffraction | Resolution | 1.99 Å | Mutation | No | [7] |
| PDB Sequence |
AVKIGIIGGT
18 GLDDPEILEG28 RTEKYVDTPF38 GKPSDALILG48 KIKNVDCVLL58 ARHGTIMPSK 71 VNYQANIWAL81 KEEGCTHVIV91 TTACGSLREE101 IQPGDIVIID111 QFIDRTTMRP 121 QSFYDGSHSC131 ARGVCHIPMA141 EPFCPKTREV151 LIETAKKLGL161 RCHSKGTMVT 171 IEGPRFSSRA181 ESFMFRTWGA191 DVINMTTVPE201 VVLAKEAGIC211 YASIAMATDY 221 DCWKEHEEAV231 SVDRVLKTLK241 ENANKAKSLL251 LTTIPQIGST261 EWSETLHNLK 271 NMAQFSVLLP281
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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 .OS5 or .OS52 or .OS53 or :3OS5;style chemicals stick;color identity;select .A:16 or .A:18 or .A:61 or .A:69 or .A:92 or .A:93 or .A:94 or .A:95 or .A:96 or .A:172 or .A:177 or .A:194 or .A:195 or .A:196 or .A:217 or .A:219 or .A:220 or .A:222 or .A:231 or .A:233 or .A:236 or .A:237 or .A:240 or .A:244 or .A:247; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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GLY16
3.350
THR18
3.315
HIS61
4.821
PRO69
3.739
THR92
3.549
THR93
3.753
ALA94
3.309
CYS95
3.492
GLY96
3.291
ILE172
3.909
PHE177
3.607
ILE194
3.596
ASN195
3.461
|
|||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | The structure of human 5'-deoxy-5'-methylthioadenosine phosphorylase at 1.7 A resolution provides insights into substrate binding and catalysis. Structure. 1999 Jun 15;7(6):629-41. | ||||
| REF 2 | Structural comparison of MTA phosphorylase and MTA/AdoHcy nucleosidase explains substrate preferences and identifies regions exploitable for inhibitor design. Biochemistry. 2004 May 11;43(18):5159-69. | ||||
| REF 3 | TBA | ||||
| REF 4 | Crystal Structure of human 5'-deoxy-5'-methyladenosine phosphorylase | ||||
| REF 5 | Picomolar transition state analogue inhibitors of human 5'-methylthioadenosine phosphorylase and X-ray structure with MT-immucillin-A. Biochemistry. 2004 Jan 13;43(1):9-18. | ||||
| REF 6 | TBA | ||||
| REF 7 | Selective Inhibitors of Helicobacter pylori Methylthioadenosine Nucleosidase and Human Methylthioadenosine Phosphorylase. J Med Chem. 2019 Apr 11;62(7):3286-3296. | ||||
| REF 8 | TBA | ||||
| REF 9 | Crystal structure of human 5'-deoxy-5'-methylthioadenosine phosphorylase in complex with 2-amino-MTA and sulfate | ||||
| REF 10 | TBA | ||||
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