Structure of PDB 3lxe Chain B

Receptor sequence

>3lxeB (length=256) Species: 9606 (Homo sapiens)

WGYDDKNGPEQWSKLYPIANGNNQSPVDIKTSETKHDTSLKPISVSYNPA
TAKEIINVGHSFHVNFEDNDNRSVLKGGPFSDSYRLFQFHFHWGSTNEHG
SEHTVDGVKYSAELHVAHWNSAKYSSLAEAASKADGLAVIGVLMKVGEAN
PKLQKVLDALQAIKTKGKRAPFTNFDPSTLLPSSLDFWTYPGSLTHPPLY
ESVTWIICKESISVSSEQLAQFRSLLSNVEGDNAVPMQHNNRPTQPLKGR
TVRASF

3D structure

• PDB: 3lxe The first example of a significant active site conformational rearrangement in a carbonic anhydrase-inhibitor adduct: the carbonic anhydrase I-topiramate complex.
• Chain: B
• Resolution: 1.9 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): H64 H94 H96 E106 H119 T199
• Catalytic site (residue number reindexed from 1): H60 H90 H92 E102 H115 T195
• Enzyme Commision number: 4.2.1.1: carbonic anhydrase.
  4.2.1.69: cyanamide hydratase.

Interaction with ligand

Site #	Ligand	Ligand chain	Binding residues on receptor (original residue number in PDB)	Binding residues on receptor (residue number reindexed from 1)	Binding affinity
BS01	ZN	B	H94 H96 H119	H90 H92 H115
BS02	TOR	B	S65 Q92 H94 H96 H119 L198 T199 H200	S61 Q88 H90 H92 H115 L194 T195 H196	MOAD: Ki=250nM BindingDB: Ki=250nM,IC50=250nM

Gene Ontology

Molecular Function

• GO:0004064 arylesterase activity
• GO:0004089 carbonate dehydratase activity
• GO:0005515 protein binding
• GO:0008270 zinc ion binding
• GO:0016829 lyase activity
• GO:0016836 hydro-lyase activity
• GO:0018820 cyanamide hydratase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0006730 one-carbon metabolic process

Cellular Component

• GO:0005737 cytoplasm
• GO:0005829 cytosol
• GO:0070062 extracellular exosome

External links

• PDB: RCSB:3lxe, PDBe:3lxe, PDBj:3lxe
• PDBsum: 3lxe
• PubMed: 20505865
• UniProt: P00915|CAH1_HUMAN Carbonic anhydrase 1 (Gene Name=CA1)