Structure of PDB 5lla Chain B

Receptor sequence

>5llaB (length=258) Species: 9606 (Homo sapiens)

SWGYREHNGPIHWKEFFPIADGDQQSPIEIKTKEVKYDSSLRPLSIKYDP
SSAKIISNSGHSFNVDFDDTENKSVLRGGPLTGSYRLRQVHLHWGSADDH
GSEHIVDGVSYAAELHVVHWNSDKYPSFVEAAHEPDGLAVLGVFLQIGEP
NSQLQKITDTLDSIKEKGKQTRFTNFDLLSLLPPSWDYWTYPGSLTVPPL
LESVTWIVLKQPINISSQQLAKFRSLLCTAEGEAAAFLVSNHRPPQPLKG
RKVRASFH

3D structure

• PDB: 5lla Combinatorial Design of Isoform-Selective N-Alkylated Benzimidazole-Based Inhibitors of Carbonic Anhydrases
• Chain: B
• Resolution: 1.5 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	6YQ	B	H96 H98 H121 V123 F133 L200 T201 V202	H91 H93 H116 V118 F128 L195 T196 V197	PDBbind-CN: -logKd/Ki=7.72,Kd=18.9nM BindingDB: kon=630000M-1-s-1,koff=0.0020s-1,Kd=19nM

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:5lla, PDBe:5lla, PDBj:5lla
• PDBsum: 5lla
• UniProt: Q8N1Q1|CAH13_HUMAN Carbonic anhydrase 13 (Gene Name=CA13)