Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T06958 | Target Info | |||
| Target Name | DNA polymerase beta (POLB) | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | POLB | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | Lamivudine Triphosphate | Ligand Info | |||
| Canonical SMILES | C1C(OC(S1)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)N2C=CC(=NC2=O)N | ||||
| InChI | 1S/C8H14N3O12P3S/c9-5-1-2-11(8(12)10-5)6-4-27-7(21-6)3-20-25(16,17)23-26(18,19)22-24(13,14)15/h1-2,6-7H,3-4H2,(H,16,17)(H,18,19)(H2,9,10,12)(H2,13,14,15)/t6-,7+/m0/s1 | ||||
| InChIKey | YLEQMGZZMCJKCN-NKWVEPMBSA-N | ||||
| PubChem Compound ID | 454110 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 5TBC PRECATALYTIC TERNARY COMPLEX OF HUMAN DNA POLYMERASE BETA WITH GAPPED DNA SUBSTRATE, INCORPORATED (-)3TC-MP AND AN ANOTHER INCOMING (-)3TC-TP NUCLEOTIDE. | ||||||
| Method | X-ray diffraction | Resolution | 1.85 Å | Mutation | No | [1] |
| PDB Sequence |
TLNGGITDML
19 TELANFEKNV29 SQAIHKYNAY39 RKAASVIAKY49 PHKIKSGAEA59 KKLPGVGTKI 69 AEKIDEFLAT79 GKLRKLEKIR89 QDDTSSSINF99 LTRVSGIGPS109 AARKFVDEGI 119 KTLEDLRKNE129 DKLNHHQRIG139 LKYFGDFEKR149 IPREEMLQMQ159 DIVLNEVKKV 169 DSEYIATVCG179 SFRRGAESSG189 DMDVLLTHPS199 FTSESPKLLH212 QVVEQLQKVH 222 FITDTLSKGE232 TKFMGVCQLP242 SKNDEKEYPH252 RRIDIRLIPK262 DQYYCGVLYF 272 TGSDIFNKNM282 RNEYTVDSEK317 DIFDYYREPK331 DR
|
|||||
|
|
||||||
| PDB ID: 5TB8 Precatalytic ternary complex of Human DNA Polymerase Beta in closed conformation With Gapped DNA substrate incoming (-)3TC-TP and Mn2+. | ||||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [1] |
| PDB Sequence |
ETLNGGITDM
18 LTELANFEKN28 VSQAIHKYNA38 YRKAASVIAK48 YPHKIKSGAE58 AKKLPGVGTK 68 IAEKIDEFLA78 TGKLRKLEKI88 RQDDTSSSIN98 FLTRVSGIGP108 SAARKFVDEG 118 IKTLEDLRKN128 EDKLNHHQRI138 GLKYFGDFEK148 RIPREEMLQM158 QDIVLNEVKK 168 VDSEYIATVC178 GSFRRGAESS188 GDMDVLLTHP198 SFTSESPKLL211 HQVVEQLQKV 221 HFITDTLSKG231 ETKFMGVCQL241 PSKNDEYPHR253 RIDIRLIPKD263 QYYCGVLYFT 273 GSDIFNKNMR283 AHALEKGFTI293 NEYTIRPLGV303 TGVAGEPLPV313 DSEKDIFDYI 323 QWKYREPKDR333 SEHHHHHH
|
|||||
|
|
||||||
| PDB ID: 5U2S Pre-catalytic ternary complex of Human DNA Polymerase Beta With Gapped DNA substrate incoming (-)3TC-TP and Ca2+. | ||||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [2] |
| PDB Sequence |
APQETLNGGI
15 TDMLTELANF25 EKNVSQAIHK35 YNAYRKAASV45 IAKYPHKIKS55 GAEAKKLPGV 65 GTKIAEKIDE75 FLATGKLRKL85 EKIRQDDTSS95 SINFLTRVSG105 IGPSAARKFV 115 DEGIKTLEDL125 RKNEDKLNHH135 QRIGLKYFGD145 FEKRIPREEM155 LQMQDIVLNE 165 VKKVDSEYIA175 TVCGSFRRGA185 ESSGDMDVLL195 THPSFTSESQ207 PKLLHQVVEQ 217 LQKVHFITDT227 LSKGETKFMG237 VCQLPSKNDE247 KEYPHRRIDI257 RLIPKDQYYC 267 GVLYFTGSDI277 FNKNMRAHAL287 EKGFTINEYT297 IRPLGVTGVA307 GEPLPVDSEK 317 DIFDYIQWKY327 REPKDR
|
|||||
|
|
||||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Structural Insights into the Post-Chemistry Steps of Nucleotide Incorporation Catalyzed by a DNA Polymerase. J Am Chem Soc. 2017 Jan 11;139(1):465-471. | ||||
| REF 2 | Structural basis for the D-stereoselectivity of human DNA polymerase beta. Nucleic Acids Res. 2017 Jun 2;45(10):6228-6237. | ||||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.