Structure of PDB 187l Chain A Binding Site BS01
Receptor Information
>187l Chain A (length=162) Species:
10665
(Tequatrovirus T4) [
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MNIFEMLRIDEGLRLKIYKDTEGYYTIGIGHLLTKSPSLNAAKSELDKAI
GRNTNGVITKDEAEKLFNQDVDAAVRGILRNAKLKPVYDSLDAVRRAAAI
NMVFQMGETGVAGFTNSLRMLQQKRWDEAAVNLAKSRWYNQTPNRAKRVI
TTFRTGTWDAYK
Ligand information
Ligand ID
PXY
InChI
InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3
InChIKey
URLKBWYHVLBVBO-UHFFFAOYSA-N
SMILES
Software
SMILES
OpenEye OEToolkits 1.5.0
Cc1ccc(cc1)C
CACTVS 3.341
Cc1ccc(C)cc1
ACDLabs 10.04
c1cc(ccc1C)C
Formula
C8 H10
Name
PARA-XYLENE
ChEMBL
CHEMBL31561
DrugBank
ZINC
ZINC000000968254
PDB chain
187l Chain A Residue 400 [
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Receptor-Ligand Complex Structure
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PDB
187l
Specificity of ligand binding in a buried nonpolar cavity of T4 lysozyme: linkage of dynamics and structural plasticity.
Resolution
1.8 Å
Binding residue
(original residue number in PDB)
A99 V111 L118
Binding residue
(residue number reindexed from 1)
A99 V111 L118
Annotation score
1
Binding affinity
MOAD
: Kd=422uM
PDBbind-CN
: -logKd/Ki=3.37,Kd=422uM
BindingDB: Kd=151000nM
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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Molecular Function
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Biological Process
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Cellular Component
External links
PDB
RCSB:187l
,
PDBe:187l
,
PDBj:187l
PDBsum
187l
PubMed
7612599
UniProt
P00720
|ENLYS_BPT4 Endolysin (Gene Name=E)
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