Structure of PDB 4e4p Chain A Binding Site BS01

Receptor Information

>4e4p Chain A (length=293) Species: 324057 (Paenibacillus sp. JDR-2)

APLKDVYKNDFLIGNAISAEDLEGTRLELLKMHHDVVTAGNAMKPDALQP
TKGNFTFTAADAMIDKVLAEGMKMHGHVLVWHQQSPAWLNTKKDDNNNTV
PLGRDEALDNLRTHIQTVMKHFGNKVISWDVVNEAMNDNPSNPADYKASL
RQTPWYQAIGSDYVEQAFLAAREVLDENPSWNIKLYYNDYNEDNQNKATA
IYNMVKDINDRYAAAHNGKLLIDGVGMQGHYNINTNPDNVKLSLEKFISL
GVEVSVSELDVTAGLAVGQAYLYAQLFKLYKEHADHIARVTFW

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: 4e4p Chain A Residue 401

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4e4p Novel structural features of xylanase A1 from Paenibacillus sp. JDR-2.
• Resolution: 1.92 Å
• Binding residue (original residue number in PDB): D14 A296 I299
• Binding residue (residue number reindexed from 1): D10 A284 I287
• Annotation score: 4

Enzymatic activity

• Catalytic site (original residue number in PDB): E138 N192 H234 E262 D264
• Catalytic site (residue number reindexed from 1): E134 N188 H230 E258 D260
• 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:4e4p, PDBe:4e4p, PDBj:4e4p
• PDBsum: 4e4p
• PubMed: 23000703
• UniProt: C6CRV0|XYNA1_PAESJ Endo-1,4-beta-xylanase A (Gene Name=xynA1)