Structure of PDB 7ota Chain A Binding Site BS03

Receptor Information
>7ota Chain A (length=556) Species: 11678 (Human immunodeficiency virus type 1 BH10) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MVPISPIETVPVKLKPGMDGPKVKQWPLTEEKIKALVEICTEMEKEGKIS
KIGPENPYNTPVFAIKKKDSTKWRKLVDFRELNKRTQDFWEVQLGIPHPA
GLKKKKSVTVLDVGDAYFSVPLDEDFRKYTAFTIPSINNETPGIRYQYNV
LPQGWKGSPAIFQSSMTKILEPFKKQNPDIVIYQYMDDLYVGSDLEIGQH
RTKIEELRQHLLRWGLTTPDKKHQKEPPFLWMGYELHPDKWTVQPIVLPE
KDSWTVNDICKLVGKLNWASQIYPGIKVRQLSKLLRGTKALTEVIPLTEE
AELELAENREILKEPVHGVYYDPSKDLIAEIQKQGQGQWTYQIYQEPFKN
LKTGKYARMRGAHTNDVKQLTEAVQKITTESIVIWGKTPKFKLPIQKETW
ETWWTEYWQATWIPEWEFVNTPPLVKLWYQLEKEPIVGAETFYVDGAANR
ETKLGKAGYVTNKGRQKVVPLTNTTNQKTELQAIYLALQDSGLEVNIVTN
SQYALGIIQAQPDKSESELVNQIIEQLIKKEKVYLAWVPAHKGIGGNEQV
DKLVSA
Ligand information
Ligand ID1I1
InChIInChI=1S/C10H16N7O5P/c11-8-7-9(14-4-13-8)17(5-15-7)2-1-12-6(3-18)10(19)16-23(20,21)22/h4-6,12,18H,1-3H2,(H2,11,13,14)(H3,16,19,20,21,22)/t6-/m0/s1
InChIKeyHTTMPVFKQATMIS-LURJTMIESA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1nc(c2c(n1)n(cn2)CCNC(CO)C(=O)NP(=O)(O)O)N
CACTVS 3.385Nc1ncnc2n(CCN[C@@H](CO)C(=O)N[P](O)(O)=O)cnc12
CACTVS 3.385Nc1ncnc2n(CCN[CH](CO)C(=O)N[P](O)(O)=O)cnc12
OpenEye OEToolkits 2.0.7c1nc(c2c(n1)n(cn2)CCN[C@@H](CO)C(=O)NP(=O)(O)O)N
FormulaC10 H16 N7 O5 P
Name((2-(6-amino-9H-purin-9-yl)ethyl)-L-seryl)phosphoramidic acid
ChEMBLCHEMBL4860817
DrugBank
ZINC
PDB chain7ota Chain A Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7ota Exploring the dNTP -binding site of HIV-1 reverse transcriptase for inhibitor design.
Resolution3.0 Å
Binding residue
(original residue number in PDB)		K65 R72 D113 A114 Q151 D185
Binding residue
(residue number reindexed from 1)		K67 R74 D115 A116 Q153 D187
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.7.-
2.7.7.49: RNA-directed DNA polymerase.
2.7.7.7: DNA-directed DNA polymerase.
3.1.-.-
3.1.13.2: exoribonuclease H.
3.1.26.13: retroviral ribonuclease H.
3.4.23.16: HIV-1 retropepsin.
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
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Biological Process
External links
PDB RCSB:7ota, PDBe:7ota, PDBj:7ota
PDBsum7ota
PubMed34425311
UniProtP03366|POL_HV1B1 Gag-Pol polyprotein (Gene Name=gag-pol)

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