Structure of PDB 2rbn Chain A Binding Site BS01

Receptor Information
>2rbn Chain A (length=162) Species: 10665 (Tequatrovirus T4) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MNIFEMLRIDEGLRLKIYKDTEGYYTIGIGHLLTKSPSLNAAKSELDKAI
GRNCNGVITKDEAEKLFNQDVDAAVRGILRNAKLKPVYDSLDAVRRCAAI
NQVFQMGETGVAGFTNSLRMLQQKRWDEAAVNLAKSRWYNQTPNRAKRVI
TTFRTGTWDAYK
Ligand information
Ligand ID264
InChIInChI=1S/C8H8N2/c9-6-7-10-8-4-2-1-3-5-8/h1-5,10H,7H2
InChIKeyKAXCEFLQAYFJKV-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341		N#CCNc1ccccc1
OpenEye OEToolkits 1.5.0c1ccc(cc1)NCC#N
FormulaC8 H8 N2
Name(phenylamino)acetonitrile
ChEMBLCHEMBL1229843
DrugBank
ZINCZINC000001683664
PDB chain2rbn Chain A Residue 1001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2rbn Rescoring docking hit lists for model cavity sites: predictions and experimental testing.
Resolution1.29 Å
Binding residue
(original residue number in PDB)		A99 Q102 V111 L118 L121 F153
Binding residue
(residue number reindexed from 1)		A99 Q102 V111 L118 L121 F153
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) E11 D20
Catalytic site (residue number reindexed from 1) E11 D20
Enzyme Commision number 3.2.1.17: lysozyme.
Gene Ontology
Molecular Function
GO:0003796 lysozyme activity
GO:0016798 hydrolase activity, acting on glycosyl bonds
Biological Process
GO:0009253 peptidoglycan catabolic process
GO:0016998 cell wall macromolecule catabolic process
GO:0031640 killing of cells of another organism
GO:0042742 defense response to bacterium
GO:0044659 viral release from host cell by cytolysis
Cellular Component
GO:0030430 host cell cytoplasm

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Biological Process
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Cellular Component
External links
PDB RCSB:2rbn, PDBe:2rbn, PDBj:2rbn
PDBsum2rbn
PubMed18280498
UniProtP00720|ENLYS_BPT4 Endolysin (Gene Name=E)

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