Structure of PDB 6skt Chain A Binding Site BS01

Receptor Information

>6skt Chain A (length=258) Species: 9913 (Bos taurus)

HHWGYGKHNGPEHWHKDFPIANGERQSPVDIDTKAVVQDPALKPLALVYG
EATSRRMVNNGHSFNVEYDDSQDKAVLKDGPLTGTYRLVQFHFHWGSSDD
QGSEHTVDRKKYAAELHLVHWNTKYGDFGTAAQQPDGLAVVGVFLKVGDA
NPALQKVLDALDSIKTKGKSTDFPNFDPGSLLPNVLDYWTYPGSLTTPPL
LESVTWIVLKEPISVSSQQMLKFRTLNFNAEGEPELLMLANWRPAQPLKN
RQVRGFPK

Ligand information

• Ligand ID: CU
• InChI: InChI=1S/Cu/q+2
• InChIKey: JPVYNHNXODAKFH-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Cu+2]
  CACTVS 3.341: [Cu++]
• Formula: Cu
• Name: COPPER (II) ION
• DrugBank: DB14552
• PDB chain: 6skt Chain A Residue 1001

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6skt Target diazotransfer reagents to label metalloenzymes
• Resolution: 1.9 Å
• Binding residue (original residue number in PDB): H4 H15 D19
• Binding residue (residue number reindexed from 1): H2 H13 D17
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): H64 H94 H96 E106 H119 T198
• Catalytic site (residue number reindexed from 1): H62 H92 H94 E104 H117 T196
• Enzyme Commision number: 4.2.1.1: carbonic anhydrase.
  4.2.1.69: cyanamide hydratase.

Gene Ontology

Molecular Function

• GO:0004089 carbonate dehydratase activity
• GO:0008270 zinc ion binding
• GO:0016829 lyase activity
• GO:0018820 cyanamide hydratase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0006730 one-carbon metabolic process
• GO:0015670 carbon dioxide transport
• GO:0038166 angiotensin-activated signaling pathway
• GO:0044070 regulation of monoatomic anion transport
• GO:0051453 regulation of intracellular pH
• GO:2001150 positive regulation of dipeptide transmembrane transport

Cellular Component

• GO:0005737 cytoplasm
• GO:0005886 plasma membrane
• GO:0045177 apical part of cell

External links

• PDB: RCSB:6skt, PDBe:6skt, PDBj:6skt
• PDBsum: 6skt
• UniProt: P00921|CAH2_BOVIN Carbonic anhydrase 2 (Gene Name=CA2)