Structure of PDB 7mkc Chain A Binding Site BS01

Receptor Information
>7mkc Chain A (length=221) Species: 11676 (Human immunodeficiency virus 1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PIVQNLQGQMVHQAISPRTLNAWVKVVEEKAFSPEVIPMFSALSEGATPQ
DLNTMLNTVGGHQAAMQMLKETIDEEAAEWDRLHPVHAGPIAPGQMREPR
GSDIAGTTSTLQEQIGWMTHNPPIPVGEIYKRWIILGLNKIVRMYSPTSI
LDIRQGPKEPFRDYVDRFYKTLRAEQASQEVKNWMTETLLVQNANPDCKT
ILKALGPGATLEEMMTACQGV
Ligand information
Ligand ID1B0
InChIInChI=1S/C27H27N3O2/c1-19-23(22-15-9-10-16-24(22)28-19)18-26(31)29-25(17-20-11-5-3-6-12-20)27(32)30(2)21-13-7-4-8-14-21/h3-16,25,28H,17-18H2,1-2H3,(H,29,31)/t25-/m0/s1
InChIKeyACDFWSNAQWFRRF-VWLOTQADSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.6.1Cc1c(c2ccccc2[nH]1)CC(=O)NC(Cc3ccccc3)C(=O)N(C)c4ccccc4
CACTVS 3.352CN(C(=O)[CH](Cc1ccccc1)NC(=O)Cc2c(C)[nH]c3ccccc23)c4ccccc4
OpenEye OEToolkits 1.6.1Cc1c(c2ccccc2[nH]1)CC(=O)N[C@@H](Cc3ccccc3)C(=O)N(C)c4ccccc4
CACTVS 3.352CN(C(=O)[C@H](Cc1ccccc1)NC(=O)Cc2c(C)[nH]c3ccccc23)c4ccccc4
ACDLabs 10.04O=C(N(c1ccccc1)C)C(NC(=O)Cc3c2ccccc2nc3C)Cc4ccccc4
FormulaC27 H27 N3 O2
NameN-METHYL-NALPHA-[(2-METHYL-1H-INDOL-3-YL)ACETYL]-N-PHENYL-L-PHENYLALANINAMIDE
ChEMBLCHEMBL1229713
DrugBank
ZINCZINC000058660738
PDB chain7mkc Chain A Residue 300 [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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PDB7mkc TRIM5alpha Restriction of HIV-1-N74D Viruses in Lymphocytes Is Caused by a Loss of Cyclophilin A Protection.
Resolution2.65 Å
Binding residue
(original residue number in PDB)		N53 L56 N57 Q63 M66 K70 T107 Y130
Binding residue
(residue number reindexed from 1)		N53 L56 N57 Q63 M66 K70 T107 Y130
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology

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Biological Process
External links
PDB RCSB:7mkc, PDBe:7mkc, PDBj:7mkc
PDBsum7mkc
PubMed35215956
UniProtP12493|GAG_HV1N5 Gag polyprotein (Gene Name=gag)

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