Structure of PDB 3w6h Chain B

Receptor sequence

>3w6hB (length=256) Species: 9606 (Homo sapiens)

WGYDDKNGPEQWSKLYPIANGNNQSPVDIKTSETKHDTSLKPISVSYNPA
TAKEIINVGHSFHVNFEDNDNRSVLKGGPFSDSYRLFQFHFHWGSTNEHG
SEHTVDGVKYSAELHVAHWNSAKYSSLAEAASKADGLAVIGVLMKVGEAN
PKLQKVLDALQAIKTKGKRAPFTNFDPSTLLPSSLDFWTYPGSLTHPPLY
ESVTWIICKESISVSSEQLAQFRSLLSNVEGDNAVPMQHNNRPTQPLKGR
TVRASF

3D structure

• PDB: 3w6h Quantitative Comparison of Protein Dynamics in Live Cells and In Vitro by In-Cell 19F-NMR
• Chain: B
• Resolution: 2.964 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	FLB	B	A132 Y204	A128 Y200
BS02	FLB	B	H67 N69 F91 Q92 L131	H63 N65 F87 Q88 L127
BS03	ZN	B	H94 H96 H119	H90 H92 H115
BS04	AZM	B	H94 L198 T199 H200	H90 L194 T195 H196	BindingDB: Ki=250nM,Kd=1400nM,IC50=5.8nM

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:3w6h, PDBe:3w6h, PDBj:3w6h
• PDBsum: 3w6h
• UniProt: P00915|CAH1_HUMAN Carbonic anhydrase 1 (Gene Name=CA1)