Structure of PDB 1ddz Chain B Binding Site BS01

Receptor Information

>1ddz Chain B (length=481) Species: 35688 (Porphyridium purpureum)

VMSDLEKKFIELEAKLVAQPAGQAMPGKSNIFANNEAWRQEMLKQDPEFF
NRLANGQSPEYLWIGCADSRVPANQLLDLPAGEVFVHRNIANQCIHSDIS
FLSVLQYAVQYLKVKHILVCGHYGCGGAKAALGDSRLGLIDNWLRHIRDV
RRMNAKYLDKCKDGDEELNRLIELNVLEQVHNVCATSIVQDAWDAGQELT
VQGVVYGVGDGKLRDLGVVVNSSDDISKFYRTKSDSGALKAGNPNAPLVQ
VTKGGESELDSTMEKLTAELVQQTPGKLKEGANRVFVNNENWRQKMLKQD
PQFFSNLAHTQTPEILWIGCADSRVPANQIINLPAGEVFVHRNIANQCIH
SDMSFLSVLQYAVQYLKVKRVVVCGHYACGGCAAALGDSRLGLIDNWLRH
IRDVRRHNQAELSRITDPKDSLNRLIEINVLEQMHNVCATSIVQDAWDAG
QELEVQGVVYGVGDGKLRDMGVVAKANDDIG

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: 1ddz Chain B Residue 3

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1ddz X-ray structure of beta-carbonic anhydrase from the red alga, Porphyridium purpureum, reveals a novel catalytic site for CO(2) hydration.
• Resolution: 2.2 Å
• Binding residue (original residue number in PDB): C149 D151 H205 C208
• Binding residue (residue number reindexed from 1): C66 D68 H122 C125
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): C149 D151 R153 H205 C208
• Catalytic site (residue number reindexed from 1): C66 D68 R70 H122 C125
• Enzyme Commision number: 4.2.1.1: carbonic anhydrase.

Gene Ontology

Molecular Function

• GO:0004089 carbonate dehydratase activity
• GO:0008270 zinc ion binding

Biological Process

• GO:0015976 carbon utilization

External links

• PDB: RCSB:1ddz, PDBe:1ddz, PDBj:1ddz
• PDBsum: 1ddz
• PubMed: 10681531
• UniProt: Q43060