Structure of PDB 7sr6 Chain F Binding Site BS05

Receptor Information
>7sr6 Chain F (length=566) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KPIPLTWKTEKPVWVNQWPLPKQKLEALHLLANEQLEKGHIEPSFSPWNS
PVFVIQKKSGKWRMLTDLRAVNALIQPMGPLQPGLPSPAMIPKDWPLIII
DLKDCFFTIPLAEQDCEKFAFTIPAINNKEPATRFQWKVLPQGMLNSPTI
CQTFVGRALQPVREKFSDCYIIHYIDDILCAAETKDKLIDCYTFLQAEVA
NAGLAIASDKIQTSTPFHYLGMQIENRKIKPQKIEIRKDTLKTLNDFQKL
LGDINWIRPTLGIPTYAMSNLFSILRGDSDLNSKRILTPEATKEIKLVEE
KIQSAQINRIGPLAPLQLLIFATAHSPTGIIIQNTDLVEWSFLPHSTVKT
FTLYLDQIATLIGQTRLRITKLCGNDPDKIVVPLTKEQVRQAFINSGAWQ
IGLANFVGIIDNHYPKTKIFQFLKLTTWILPKITRCEPLENALTVFTDGS
SNGKAAYTGPKERVIKTPYQSAQRAELVAVITVLQDFDQPINIISDSAYV
VQATRDVETALIKYSMDDQLNQLFNLLQQTVRKRNFPFYITHIRAHTNLP
GPLTKANEQADLLVSS
Ligand information
Ligand IDTTP
InChIInChI=1S/C10H17N2O14P3/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(24-8)4-23-28(19,20)26-29(21,22)25-27(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,19,20)(H,21,22)(H,11,14,15)(H2,16,17,18)/t6-,7+,8+/m0/s1
InChIKeyNHVNXKFIZYSCEB-XLPZGREQSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O
CACTVS 3.341CC1=CN([CH]2C[CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)O2)C(=O)NC1=O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC2OC(N1C(=O)NC(=O)C(=C1)C)CC2O
OpenEye OEToolkits 1.5.0CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O
CACTVS 3.341CC1=CN([C@H]2C[C@H](O)[C@@H](CO[P@@](O)(=O)O[P@](O)(=O)O[P](O)(O)=O)O2)C(=O)NC1=O
FormulaC10 H17 N2 O14 P3
NameTHYMIDINE-5'-TRIPHOSPHATE
ChEMBLCHEMBL363559
DrugBankDB02452
ZINCZINC000008215959
PDB chain7sr6 Chain F Residue 605 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB7sr6 Human endogenous retrovirus-K (HERV-K) reverse transcriptase (RT) structure and biochemistry reveals remarkable similarities to HIV-1 RT and opportunities for HERV-K-specific inhibition.
Resolution2.62 Å
Binding residue
(original residue number in PDB)		K77 R83 D121 L122 D124 C125 F126 D196 K230
Binding residue
(residue number reindexed from 1)		K57 R63 D101 L102 D104 C105 F106 D176 K210
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.7.49: RNA-directed DNA polymerase.
3.1.26.4: ribonuclease H.
Gene Ontology
Molecular Function
GO:0003676 nucleic acid binding
GO:0003964 RNA-directed DNA polymerase activity
GO:0004523 RNA-DNA hybrid ribonuclease activity
Biological Process
GO:0006278 RNA-templated DNA biosynthetic process

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Molecular Function
View graph for
Biological Process
External links
PDB RCSB:7sr6, PDBe:7sr6, PDBj:7sr6
PDBsum7sr6
PubMed35771941
UniProtQ9UQG0|POK11_HUMAN Endogenous retrovirus group K member 11 Pol protein (Gene Name=ERVK-11)

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