Structure of PDB 2dck Chain A Binding Site BS02

Receptor Information

>2dck Chain A (length=320) Species: 98930 (Bacillus sp. 41M-1)

AITSNEIGTHDGYDYEFWKDSGGSGSMTLNSGGTFSAQWSNVNNILFRKG
KKFDETQTHQQIGNMSINYGATYNPNGNSYLTVYGWTVDPLVEFYIVDSW
GTWRPPGGTPKGTINVDGGTYQIYETTRYNQPSIKGTATFQQYWSVRTSK
RTSGTISVSEHFRAWESLGMNMGNMYEVALTVEGYQSSGSANVYSNTLTI
GATRVEAESMTKGGPYTSNITSPFNGVALYANGDNVSFNHSFTKANSSFS
LRGASNNSNMARVDLRIGGQNRGTFYFGDQYPAVYTINNINHGIGNQLVE
LIVTADDGTWDAYLDYLEIR

Ligand information

• Ligand ID: CA
• InChI: InChI=1S/Ca/q+2
• InChIKey: BHPQYMZQTOCNFJ-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Ca++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Ca+2]
• Formula: Ca
• Name: CALCIUM ION
• DrugBank: DB14577
• PDB chain: 2dck Chain A Residue 1002

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2dck A two-domain structure of alkaliphilic XynJ from Bacillus sp. 41M-1
• Resolution: 2.1 Å
• Binding residue (original residue number in PDB): Y237 D313 W317 D318
• Binding residue (residue number reindexed from 1): Y230 D306 W310 D311
• Annotation score: 4

Enzymatic activity

• Catalytic site (original residue number in PDB): N44 Y84 E93 Y95 E183
• Catalytic site (residue number reindexed from 1): N44 Y84 E93 Y95 E183
• Enzyme Commision number: 3.2.1.8: endo-1,4-beta-xylanase.

Gene Ontology

Molecular Function

• GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
• GO:0030246 carbohydrate binding

Biological Process

• GO:0005975 carbohydrate metabolic process

External links

• PDB: RCSB:2dck, PDBe:2dck, PDBj:2dck
• PDBsum: 2dck
• UniProt: Q9RC94