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Structure of PDB 2ou0 Chain X Binding Site BS01

Receptor Information >2ou0 Chain X (length=162) Species: 10665 (Tequatrovirus T4) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure] MNIFEMLRIDEGLRLKIYKDTEGYYTIGIGHLLTKSPSLNAAKSELDKAI GRNTNGVITKDEAEKLFNQDVDAAVRGILRNAKLKPVYDSLDAVRRAAAI NMVFQMGETGVAGFTNSLRMLQQKRWDEAAVNLAKSRWYNQTPNRAKRVI TTFRTGTWDAYK

Ligand information Ligand ID MR3 InChI InChI=1S/C5H7N/c1-6-4-2-3-5-6/h2-5H,1H3 InChIKey OXHNLMTVIGZXSG-UHFFFAOYSA-N SMILES Software SMILES ACDLabs 10.04 c1cccn1C CACTVS 3.341 OpenEye OEToolkits 1.5.0 Cn1cccc1 Formula C5 H7 N Name 1-METHYL-1H-PYRROLE ChEMBL CHEMBL1234459 DrugBank ZINC ZINC000001692446 PDB chain 2ou0 Chain X Residue 303 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure Global view Local view Structure summary [Spin on] [Spin off] [Reset] [High quality] [Low quality] [White background] [Black background] [Spin on] [Spin off] [Reset] [High quality] [Low quality] [White background] [Black background] PDB 2ou0 Predicting absolute ligand binding free energies to a simple model site. Resolution 1.94 Å Binding residue (original residue number in PDB) L84 A99 V111 L118 Binding residue (residue number reindexed from 1) L84 A99 V111 L118 Annotation score 1 Binding affinity MOAD: Kd=592uM

Enzymatic activity 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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