Structure of PDB 1ia6 Chain A Binding Site BS02

Receptor Information

>1ia6 Chain A (length=423) Species: 1521 (Ruminiclostridium cellulolyticum)

AGTHDYSTALKDSIIFFDANKCGPQAGENNVFDWRGACHTTDGSDVGVDL
TGGYHDAGDHVKFGLPQGYSAAILGWSLYEFKESFDATGNTTKMLQQLKY
FTDYFLKSHPNSTTFYYQVGEGNADHTYWGAPEEQTGQRPSLYKADPSSP
ASDILSETSAALTLMYLNYKNIDSAYATKCLNAAKELYAMGKANQGVGNG
QSFYQATSFGDDLAWAATWLYTATNDSTYITDAEQFITLNKMQDKWTMCW
DDMYVPAALRLAQITGKQIYKDAIEFNFNYWKTQVTTTPGGLKWLSNWGV
LRYAAAESMVMLVYCKQNPDQSLLDLAKKQVDYILGDNPANMSYIIGYGS
NWCIHPHHRAANGYTYADNAKPAKHLLTGALVGGPDQNDKFLDDANQYQY
TEVALDYNAGLVGVLAGAIKFFG

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: 1ia6 Chain A Residue 1264

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1ia6 Crystal structure of the cellulase Cel9M enlightens structure/function relationships of the variable catalytic modules in glycoside hydrolases.
• Resolution: 1.8 Å
• Binding residue (original residue number in PDB): C22 C38 H39 H55
• Binding residue (residue number reindexed from 1): C22 C38 H39 H55
• Annotation score: 4

Enzymatic activity

• Catalytic site (original residue number in PDB): D56 D59 Y204 E410
• Catalytic site (residue number reindexed from 1): D56 D59 Y204 E402
• Enzyme Commision number: 3.2.1.-
  3.2.1.4: cellulase.

Gene Ontology

Molecular Function

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

Biological Process

• GO:0005975 carbohydrate metabolic process

External links

• PDB: RCSB:1ia6, PDBe:1ia6, PDBj:1ia6
• PDBsum: 1ia6
• PubMed: 12220178
• UniProt: Q9EYQ2