Structure of PDB 5ur3 Chain B Binding Site BS02

Receptor Information
>5ur3 Chain B (length=192) Species: 37296 (Human gammaherpesvirus 8) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GLYVGGFVDVVSCPKLEQELYLDPDQVTDYLPVTEPLPITIEHLPETEVG
WTLGLFQVSHGIFCTGAITSPAFLELASRLADTSHVARAPVKNLPKEPLL
EILHTWLPGLSLSSIHPRELQTPSGPVFQHVSLCALGRRRGTVAVYGHDA
EWVVSRFSSVSKSERAHILQHVSSCRLEDLSTPNFVSPLETL
Ligand information
Ligand ID8OY
InChIInChI=1S/C26H27N3O3/c30-25(23-13-7-12-21(28-23)16-18-8-3-1-4-9-18)29-22-15-14-19(26(31)32)17-24(22)27-20-10-5-2-6-11-20/h2,5-7,10-15,17-18,27H,1,3-4,8-9,16H2,(H,29,30)(H,31,32)
InChIKeyPIPBPJWDZSBLMQ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1ccc(cc1)Nc2cc(ccc2NC(=O)c3cccc(n3)CC4CCCCC4)C(=O)O
CACTVS 3.385OC(=O)c1ccc(NC(=O)c2cccc(CC3CCCCC3)n2)c(Nc4ccccc4)c1
ACDLabs 12.01O=C(Nc1c(cc(cc1)C(O)=O)Nc2ccccc2)c4nc(CC3CCCCC3)ccc4
FormulaC26 H27 N3 O3
Name4-{[6-(cyclohexylmethyl)pyridine-2-carbonyl]amino}-3-(phenylamino)benzoic acid
ChEMBL
DrugBank
ZINCZINC000584905505
PDB chain5ur3 Chain B Residue 202 [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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PDB5ur3 Kaposi's Sarcoma Herpesvirus Protease in Complex with Allosteric Inhibitor
Resolution1.8 Å
Binding residue
(original residue number in PDB)		L79 L83 A90 W109 S191 P192 L193 E194 T195
Binding residue
(residue number reindexed from 1)		L76 L80 A87 W106 S187 P188 L189 E190 T191
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 H130 R138 R139
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:5ur3, PDBe:5ur3, PDBj:5ur3
PDBsum5ur3
PubMed
UniProtO40922

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