Structure of PDB 4dyg Chain A Binding Site BS02

Receptor Information

>4dyg Chain A (length=242) Species: 4550 (Secale cereale)

SVSSIISHAQFDRMLLHRNDGACQAKGFYTYDAFVAAANAFPGFGATGST
DARKRDVAAFLAQTSHETTGGWATAPDGAFAWGYCFKQERGAAADYCTPS
AQWPCAPGKRYYGRGPIQLSHNYNYGPAGRAIGVDLLRNPDLVATDPTVS
FKTALWFWMTAQAPKPSSHAVITGKWSPSGADRAAGRAPGFGVITNIING
GLECGHGQDSRVADRIGFYKRYCDILGVGYGDNLDCYNQRPF

Ligand information

• Ligand ID: ZN
• InChI: InChI=1S/Zn/q+2
• InChIKey: PTFCDOFLOPIGGS-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Zn++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Zn+2]
• Formula: Zn
• Name: ZINC ION
• ChEMBL: CHEMBL1236970
• DrugBank: DB14532
• PDB chain: 4dyg Chain A Residue 309

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4dyg Crystal structure and chitin oligosaccharide-binding mode of a 'loopful' family GH19 chitinase from rye, Secale cereale, seeds
• Resolution: 1.7 Å
• Binding residue (original residue number in PDB): H17 D20
• Binding residue (residue number reindexed from 1): H17 D20
• Annotation score: 4

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

External links

• PDB: RCSB:4dyg, PDBe:4dyg, PDBj:4dyg
• PDBsum: 4dyg
• PubMed: 22831795
• UniProt: Q9FRV0|CHIC_SECCE Basic endochitinase C (Gene Name=rscc)