Structure of PDB 5uvp Chain B Binding Site BS01

Receptor Information
>5uvp Chain B (length=190) Species: 37296 (Human gammaherpesvirus 8) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GLYVGGFVDVVSCPKLEQELYLDPDQVTDYLPVTEPLPITIEHLPETEVG
WTLGLFQVSHGIFCTGAITSPAFLELASRLADTSHVARAPVKNLPKEPLL
EILHTWLPGLSLSSIHPRELPSGPVFQHVSLCALGRRRGTVAVYGHDAEW
VVSRFSSVSKSERAHILQHVSSCRLEDLSTPNFVSPLETL
Ligand information
Ligand ID8N7
InChIInChI=1S/C25H30N6O3/c32-25(22-8-4-7-19(26-22)15-17-5-2-1-3-6-17)27-21-10-9-18(24-28-30-31-29-24)16-23(21)34-20-11-13-33-14-12-20/h4,7-10,16-17,20H,1-3,5-6,11-15H2,(H,27,32)(H,28,29,30,31)
InChIKeyTYBWDMQVDBFQCS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1cc(nc(c1)C(=O)Nc2ccc(cc2OC3CCOCC3)c4[nH]nnn4)CC5CCCCC5
ACDLabs 12.01C(c4nc(C(Nc1c(cc(cc1)c2nnnn2)OC3CCOCC3)=O)ccc4)C5CCCCC5
CACTVS 3.385O=C(Nc1ccc(cc1OC2CCOCC2)c3[nH]nnn3)c4cccc(CC5CCCCC5)n4
FormulaC25 H30 N6 O3
Name6-(cyclohexylmethyl)-N-{2-[(oxan-4-yl)oxy]-4-(1H-tetrazol-5-yl)phenyl}pyridine-2-carboxamide
ChEMBL
DrugBank
ZINC
PDB chain5uvp Chain B Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5uvp Kaposi's Sarcoma Herpesvirus Protease in Complex with Allosteric Inhibitor
Resolution1.94 Å
Binding residue
(original residue number in PDB)		F76 L79 A80 L83 V89 A90 I105 W109 S191 L193
Binding residue
(residue number reindexed from 1)		F73 L76 A77 L80 V86 A87 I102 W106 S185 L187
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H46 S114 S116 H134 R142 R143
Catalytic site (residue number reindexed from 1) H43 S111 S113 H128 R136 R137
Enzyme Commision number 3.4.21.97: assemblin.
Gene Ontology
Molecular Function
GO:0004252 serine-type endopeptidase activity
Biological Process
GO:0006508 proteolysis

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Molecular Function
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Biological Process
External links
PDB RCSB:5uvp, PDBe:5uvp, PDBj:5uvp
PDBsum5uvp
PubMed
UniProtO40922

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