Structure of PDB 4dwx Chain A Binding Site BS01

Receptor Information
>4dwx Chain A (length=242) Species: 4550 (Secale cereale) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SVSSIISHAQFDRMLLHRNDGACQAKGFYTYDAFVAAANAFPGFGATGST
DARKRDVAAFLAQTSHETTGGWATAPDGAFAWGYCFKQERGAAADYCTPS
AQWPCAPGKRYYGRGPIQLSHNYNYGPAGRAIGVDLLRNPDLVATDPTVS
FKTALWFWMTAQAPKPSSHAVITGKWSPSGADRAAGRAPGFGVITNIING
GLECGHGQDSRVADRIGFYKRYCDILGVGYGDNLDCYNQRPF
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain4dwx Chain A Residue 304 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4dwx Crystal structure and chitin oligosaccharide-binding mode of a 'loopful' family GH19 chitinase from rye, Secale cereale, seeds
Resolution1.8 Å
Binding residue
(original residue number in PDB)		H8 D12
Binding residue
(residue number reindexed from 1)		H8 D12
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) E67 E89 N124
Catalytic site (residue number reindexed from 1) E67 E89 N124
Enzyme Commision number 3.2.1.14: chitinase.
Gene Ontology
Molecular Function
GO:0004568 chitinase activity
GO:0008061 chitin binding
GO:0016798 hydrolase activity, acting on glycosyl bonds
Biological Process
GO:0000272 polysaccharide catabolic process
GO:0005975 carbohydrate metabolic process
GO:0006032 chitin catabolic process
GO:0016998 cell wall macromolecule catabolic process
GO:0031640 killing of cells of another organism
GO:0050832 defense response to fungus
Cellular Component
GO:0005576 extracellular region

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4dwx, PDBe:4dwx, PDBj:4dwx
PDBsum4dwx
PubMed22831795
UniProtQ9FRV0|CHIC_SECCE Basic endochitinase C (Gene Name=rscc)

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