Structure of PDB 4hu1 Chain B

Receptor sequence

>4hu1B (length=260) Species: 9606 (Homo sapiens)

RLSWGYREHNGPIHWKEFFPIADGDQQSPIEIKTKEVKYDSSLRPLSIKY
DPSSAKIISNSGHSFNVDFDDTENKSVLRGGPLTGSYRLRQVHLHWGSAD
DHGSEHIVDGVSYAAELHVVHWNSDKYPSFVEAAHEPDGLAVLGVFLQIG
EPNSQLQKITDTLDSIKEKGKQTRFTNFDLLSLLPPSWDYWTYPGSLTVP
PLLESVTWIVLKQPINISSQQLAKFRSLLCTAEGEAAAFLVSNHRPPQPL
KGRKVRASFH

3D structure

• PDB: 4hu1 4-Substituted-2,3,5,6-tetrafluorobenzenesulfonamides as inhibitors of carbonic anhydrases I, II, VII, XII, and XIII.
• Chain: B
• Resolution: 1.95 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): H66 H96 H98 E108 H121 T201
• Catalytic site (residue number reindexed from 1): H63 H93 H95 E105 H118 T198
• Enzyme Commision number: 4.2.1.1: carbonic anhydrase.

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	H96 H98 H121	H93 H95 H118
BS02	V13	B	Q94 H96 H121 V123 F133 L200 T201 V202	Q91 H93 H118 V120 F130 L197 T198 V199	MOAD: Kd=29nM PDBbind-CN: -logKd/Ki=7.54,Kd=29nM BindingDB: Kd=29nM

Gene Ontology

Molecular Function

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

Biological Process

• GO:0006730 one-carbon metabolic process

Cellular Component

• GO:0005737 cytoplasm
• GO:0005829 cytosol
• GO:0043209 myelin sheath
• GO:0043231 intracellular membrane-bounded organelle

External links

• PDB: RCSB:4hu1, PDBe:4hu1, PDBj:4hu1
• PDBsum: 4hu1
• PubMed: 23394791
• UniProt: Q8N1Q1|CAH13_HUMAN Carbonic anhydrase 13 (Gene Name=CA13)