Structure of PDB 2esf Chain A Binding Site BS02

Receptor Information

>2esf Chain A (length=213) Species: 562 (Escherichia coli)

DIDTLISNNALWSKMLVEEDPGFFEKLAQAQKPRFLWIGCSDSRVPAERL
TGLEPGELFVHRNVANLVIHTDLNCLSVVQYAVDVLEVEHIIICGHYGCG
GVQAAVENPELGLINNWLLHIRDIWFKHSSLLGEMPQERRLDTLCELNVM
EQVYNLGHSTIMQSAWKRGQKVTIHGWAYGIHDGLLRDLDVTATNRETLE
QRYRHGISNLKLK

Ligand information

• Ligand ID: BCT
• InChI: InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)/p-1
• InChIKey: BVKZGUZCCUSVTD-UHFFFAOYSA-M
• SMILES:
  OpenEye OEToolkits 1.5.0: C(=O)(O)[O-]
  CACTVS 3.341: OC([O-])=O
  ACDLabs 10.04: [O-]C(=O)O
• Formula: C H O3
• Name: BICARBONATE ION
• PDB chain: 2esf Chain A Residue 1498

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2esf Identification of a Novel Noncatalytic Bicarbonate Binding Site in Eubacterial beta-Carbonic Anhydrase.
• Resolution: 2.25 Å
• Binding residue (original residue number in PDB): W39 V47 A49 R64 Y181
• Binding residue (residue number reindexed from 1): W37 V45 A47 R62 Y179
• Annotation score: 5

Enzymatic activity

• Catalytic site (original residue number in PDB): C42 D44 R46 H98 C101
• Catalytic site (residue number reindexed from 1): C40 D42 R44 H96 C99
• Enzyme Commision number: 4.2.1.1: carbonic anhydrase.

Gene Ontology

Molecular Function

• GO:0004089 carbonate dehydratase activity
• GO:0005515 protein binding
• GO:0008270 zinc ion binding
• GO:0016829 lyase activity
• GO:0042802 identical protein binding
• GO:0046872 metal ion binding

Biological Process

• GO:0015976 carbon utilization
• GO:0051289 protein homotetramerization

Cellular Component

• GO:0005829 cytosol

External links

• PDB: RCSB:2esf, PDBe:2esf, PDBj:2esf
• PDBsum: 2esf
• PubMed: 16584170
• UniProt: P61517|CAN_ECOLI Carbonic anhydrase 2 (Gene Name=can)