Structure of PDB 2exj Chain A Binding Site BS03

Receptor Information

>2exj Chain A (length=533) Species: 1422 (Geobacillus stearothermophilus)

KIKNPILTGFHPDPSICRVGDDYYIAVSTFEWFPGVRIYHSKDLKNWRLV
ARPLNRLSQLNMIGNPDSGGVWAPHLSYSDGKFWLIYTDVKVVEGQWKDG
HNYLVTCDTIDGAWSDPIYLNSSGFGPSLFHDEDGRKYLVNMYWDHRVDH
HPFYGIVLQEYSVEQKKLVGEPKIIFKGTDLRITEGPHLYKINGYYYLLT
AEGGTRYNHAATIARSTSLYGPYEVHPDNPLLTSWPYPRNPLQKAGHASI
VHTHTDEWFLVHLTGRPLPREGQPLLEHRGYCPLGRETAIQRLEWKDGWP
YVVGGNGPSLEIDGPSVEEVSWEKDYDEKDDFDGDTLNHHFQTLRIPLGE
DIATLKARPGHLRLYGRESLTSRFTQAFVARRWQHFHFVAETKVSFRPTT
FQQSAGLVNYYNTQNWTTLQITWHEEKGRILELMTCDHLVVDQPLRGREI
VVPDDIEYVYLRVTVQATTYKYSYSFDGMNWIDLPVTFESYKLSDDYIKS
RAAFTGAFVGMHCRDGSGQNNYADFDYFLYKEL

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: 2exj Chain A Residue 2001

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2exj The Structure of an Inverting GH43 beta-Xylosidase from Geobacillus stearothermophilus with its Substrate Reveals the Role of the Three Catalytic Residues.
• Resolution: 2.2 Å
• Binding residue (original residue number in PDB): D333 G362 D528
• Binding residue (residue number reindexed from 1): D331 G360 D526
• Annotation score: 4

Enzymatic activity

• Enzyme Commision number: 3.2.1.37: xylan 1,4-beta-xylosidase.

Gene Ontology

Molecular Function

• GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
• GO:0016798 hydrolase activity, acting on glycosyl bonds
• GO:0046872 metal ion binding

Biological Process

• GO:0005975 carbohydrate metabolic process

External links

• PDB: RCSB:2exj, PDBe:2exj, PDBj:2exj
• PDBsum: 2exj
• PubMed: 16631196
• UniProt: Q09LX0