Structure of PDB 4knm Chain A

Receptor sequence

>4knmA (length=259) Species: 9606 (Homo sapiens)

LSWGYREHNGPIHWKEFFPIADGDQQSPIEIKTKEVKYDSSLRPLSIKYD
PSSAKIISNSGHSFNVDFDDTENKSVLRGGPLTGSYRLRQVHLHWGSADD
HGSEHIVDGVSYAAELHVVHWNSDKYPSFVEAAHEPDGLAVLGVFLQIGE
PNSQLQKITDTLDSIKEKGKQTRFTNFDLLSLLPPSWDYWTYPGSLTVPP
LLESVTWIVLKQPINISSQQLAKFRSLLCTAEGEAAAFLVSNHRPPQPLK
GRKVRASFH

3D structure

• PDB: 4knm Benzenesulfonamides with pyrimidine moiety as inhibitors of human carbonic anhydrases I, II, VI, VII, XII, and XIII
• Chain: A
• Resolution: 1.9 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): H66 H96 H98 E108 H121 T201
• Catalytic site (residue number reindexed from 1): H62 H92 H94 E104 H117 T197
• 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	A	H96 H98 H121	H92 H94 H117
BS02	E1E	A	H96 H98 H121 V123 F133 V145 L200 T201 V202 W211	H92 H94 H117 V119 F129 V141 L196 T197 V198 W207	MOAD: Kd=10nM PDBbind-CN: -logKd/Ki=8.00,Kd=10.0nM BindingDB: Kd=8.1nM

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:4knm, PDBe:4knm, PDBj:4knm
• PDBsum: 4knm
• PubMed: 24103428
• UniProt: Q8N1Q1|CAH13_HUMAN Carbonic anhydrase 13 (Gene Name=CA13)