Structure of PDB 5ute Chain B Binding Site BS01

Receptor Information
>5ute Chain B (length=184) Species: 37296 (Human gammaherpesvirus 8) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GLYVGGFVDVVSCPQELYLDPDQVTDYLPVTEPLPITIEHLPETEVGWTL
GLFQVSHGIFCTGAITSPAFLELASRLADTSHVARAPVKNLPKEPLLEIL
HTWLPGLSLSSIHPREGPVFQHVSLCALGRRRGTVAVYGHDAEWVVSRFS
SVSKSERAHILQHVSSCRLEDLSTPNFVSPLETL
Ligand information
Ligand ID8M4
InChIInChI=1S/C27H29N3O4/c1-34-22-13-11-20(12-14-22)28-25-17-19(27(32)33)10-15-23(25)30-26(31)24-9-5-8-21(29-24)16-18-6-3-2-4-7-18/h5,8-15,17-18,28H,2-4,6-7,16H2,1H3,(H,30,31)(H,32,33)
InChIKeyHKIXXPHCIIDZPF-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6COc1ccc(cc1)Nc2cc(ccc2NC(=O)c3cccc(n3)CC4CCCCC4)C(=O)O
CACTVS 3.385COc1ccc(Nc2cc(ccc2NC(=O)c3cccc(CC4CCCCC4)n3)C(O)=O)cc1
ACDLabs 12.01c4(CC1CCCCC1)cccc(C(Nc2ccc(C(O)=O)cc2Nc3ccc(cc3)OC)=O)n4
FormulaC27 H29 N3 O4
Name4-{[6-(cyclohexylmethyl)pyridine-2-carbonyl]amino}-3-[(4-methoxyphenyl)amino]benzoic acid
ChEMBL
DrugBank
ZINCZINC000621476080
PDB chain5ute 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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PDB5ute Kaposi's Sarcoma Herpesvirus Protease in Complex with Allosteric Inhibitor
Resolution2.05 Å
Binding residue
(original residue number in PDB)		I44 T50 L79 L83 A90 W109 F189 S191 P192 L193 E194 T195
Binding residue
(residue number reindexed from 1)		I38 T44 L73 L77 A84 W103 F177 S179 P180 L181 E182 T183
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H46 S114 S116 H134 R142 R143
Catalytic site (residue number reindexed from 1) H40 S108 S110 H122 R130 R131
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:5ute, PDBe:5ute, PDBj:5ute
PDBsum5ute
PubMed
UniProtO40922

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