Structure of PDB 4qsj Chain A

Receptor sequence

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

RLSWGYREHNGPIHWKEFFPIADGDQQSPIEIKTKEVKYDSSLRPLSIKY
DPSSAKIISNSGHSFNVDFDDTENKSVLRGGPLTGSYRLRQVHLHWGSAD
DHGSEHIVDGVSYAAELHVVHWNSDKYPSFVEAAHEPDGLAVLGVFLQIG
EPNSQLQKITDTLDSIKEKGKQTRFTNFDLLSLLPPSWDYWTYPGSLTVP
PLLESVTWIVLKQPINISSQQLAKFRSLLCTAEGEAAAFLVSNHRPPQPL
KGRKVRASFH

3D structure

• PDB: 4qsj Intrinsic Thermodynamics and Structure Correlation of Benzenesulfonamides with a Pyrimidine Moiety Binding to Carbonic Anhydrases I, II, VII, XII, and XIII
• Chain: A
• Resolution: 1.7 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): H64 H94 H96 E106 H119 T199
• 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	A	H94 H96 H119	H93 H95 H118
BS02	EWW	A	H94 H96 H119 F131 V132 H136 L198 T199 V200	H93 H95 H118 F130 V131 H135 L197 T198 V199	MOAD: Kd=5nM BindingDB: Kd=33nM

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:4qsj, PDBe:4qsj, PDBj:4qsj
• PDBsum: 4qsj
• PubMed: 25493428
• UniProt: Q8N1Q1|CAH13_HUMAN Carbonic anhydrase 13 (Gene Name=CA13)