Structure of PDB 4qjp Chain B

Receptor sequence

>4qjpB (length=258) Species: 9606 (Homo sapiens)

SWGYREHNGPIHWKEFFPIADGDQQSPIEIKTKEVKYDSSLRPLSIKYDP
SSAKIISNSGHSFNVDFDDTENKSVLRGGPLTGSYRLRQVHLHWGSADDH
GSEHIVDGVSYAAELHVVHWNSDKYPSFVEAAHEPDGLAVLGVFLQIGEP
NSQLQKITDTLDSIKEKGKQTRFTNFDLLSLLPPSWDYWTYPGSLTVPPL
LESVTWIVLKQPINISSQQLAKFRSLLCTAEGEAAAFLVSNHRPPQPLKG
RKVRASFH

3D structure

• PDB: 4qjp Functionalization of Fluorinated Benzenesulfonamides and Their Inhibitory Properties toward Carbonic Anhydrases
• Chain: B
• Resolution: 1.62 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): H66 H96 H98 E108 H121 T201
• Catalytic site (residue number reindexed from 1): H61 H91 H93 E103 H116 T196
• 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	H91 H93 H116
BS02	V1F	B	S64 H66 N69 H96 H121 V123 F133 L200 T201 V202 P204	S59 H61 N64 H91 H116 V118 F128 L195 T196 V197 P199	MOAD: Kd=2.5nM PDBbind-CN: -logKd/Ki=8.60,Kd=2.5nM

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:4qjp, PDBe:4qjp, PDBj:4qjp
• PDBsum: 4qjp
• PubMed: 25758852
• UniProt: Q8N1Q1|CAH13_HUMAN Carbonic anhydrase 13 (Gene Name=CA13)