Structure of PDB 3eyx Chain B Binding Site BS03

Receptor Information

>3eyx Chain B (length=197) Species: 4932 (Saccharomyces cerevisiae)

NLQDILAANAKWASQMNNIQPTLFSPHTLFIGCSDSRYNENCLGVLPGEV
FTWKNVANICHSEDLTLKATLEFAIICLKVNKVIICGHTDCGGIKTCLTN
QREALPKVNCSHLYKYLDDIDTMYHEESQNLIHLKTQREKSHYLSHCNVK
RQFNRIIENPTVQTAVQNGELQVYGLLYNVEDGLLQTVSTYTKVTPK

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: 3eyx Chain B Residue 2

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3eyx Structural insights into the substrate tunnel of Saccharomyces cerevisiae carbonic anhydrase Nce103.
• Resolution: 2.04 Å
• Binding residue (original residue number in PDB): C57 H112 C115
• Binding residue (residue number reindexed from 1): C33 H88 C91
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): C57 D59 R61 H112 C115
• Catalytic site (residue number reindexed from 1): C33 D35 R37 H88 C91
• Enzyme Commision number: 4.2.1.1: carbonic anhydrase.

Gene Ontology

Molecular Function

• GO:0004089 carbonate dehydratase activity
• GO:0008270 zinc ion binding
• GO:0016829 lyase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0015976 carbon utilization
• GO:0034599 cellular response to oxidative stress
• GO:0071244 cellular response to carbon dioxide

Cellular Component

• GO:0005634 nucleus
• GO:0005737 cytoplasm
• GO:0005739 mitochondrion
• GO:0005758 mitochondrial intermembrane space

External links

• PDB: RCSB:3eyx, PDBe:3eyx, PDBj:3eyx
• PDBsum: 3eyx
• PubMed: 19852838
• UniProt: P53615|CAN_YEAST Carbonic anhydrase (Gene Name=NCE103)