Structure of PDB 3ro8 Chain B Binding Site BS02

Receptor Information

>3ro8 Chain B (length=304) Species: 324057 (Paenibacillus sp. JDR-2)

SHMAPLKDVYKNDFLIGNAISAEDLEGTRLELLKMHHDVVTAGNAMKPDA
LQPTKGNFTFTAADAMIDKVLAEGMKMHGHVLVWHQQSPAWLNTKKDDNN
NTVPLGRDEALDNLRTHIQTVMKHFGNKVISWDVVNEAMNDNPSNPADYK
ASLRQTPWYQAIGSDYVEQAFLAAREVLDENPSWNIKLYYNDYNEDNQNK
ATAIYNMVKDINDRYAAAHNGKLLIDGVGMQGHYNINTNPDNVKLSLEKF
ISLGVEVSVSELDVTAGNNYTLPENLAVGQAYLYAQLFKLYKEHADHIAR
VTFW

Ligand information

• Ligand ID: MG
• InChI: InChI=1S/Mg/q+2
• InChIKey: JLVVSXFLKOJNIY-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Mg+2]
  CACTVS 3.341: [Mg++]
• Formula: Mg
• Name: MAGNESIUM ION
• DrugBank: DB01378
• PDB chain: 3ro8 Chain B Residue 403

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3ro8 Novel structural features of xylanase A1 from Paenibacillus sp. JDR-2.
• Resolution: 1.34 Å
• Binding residue (original residue number in PDB): T60 T62
• Binding residue (residue number reindexed from 1): T59 T61
• Annotation score: 4

Enzymatic activity

• Catalytic site (original residue number in PDB): E138 N192 H234 E262 D264
• Catalytic site (residue number reindexed from 1): E137 N191 H233 E261 D263
• Enzyme Commision number: 3.2.1.8: endo-1,4-beta-xylanase.

Gene Ontology

Molecular Function

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

Biological Process

• GO:0005975 carbohydrate metabolic process

External links

• PDB: RCSB:3ro8, PDBe:3ro8, PDBj:3ro8
• PDBsum: 3ro8
• PubMed: 23000703
• UniProt: C6CRV0|XYNA1_PAESJ Endo-1,4-beta-xylanase A (Gene Name=xynA1)