MolNFT v1 · #123309 · protein

Human carbonic anhydrase II (121T/N67Q) complexed with BENZO[D]THIAZOLE-2-sulfonamide

5JG3 · Carbonic anhydrase 2: “Human carbonic anhydrase II (121T/N67Q) complexed with BENZO[D]THIAZOLE-2-sulfonamide”. X-ray diffraction, 2 ligands (EVF, ZN), 2 pockets (best druggability 0.59). MolNFT v1 #123309 on GenesisL1: 3D structure…

PDB: 5JG3
Type: protein
Length: 259 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Carbonic anhydrase 2
EC: 4.2.1.1
UniProt: P00918
Ligands: EVF, ZN
Pockets: 2 · best druggability 0.59

Structure

x-ray diffraction · 1 distinct chain · 16% helix, 30% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
B	Carbonic anhydrase 2 (EC 4.2.1.1)	protein	259	16% helix, 30% strand	P00918

Ligands and binding sites

EVF · 1,3-benzothiazole-2-sulfonamide · ligand · 2 copies · chains B
ZN · Zinc ion · metal · chains B

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	179	0.59	0.82	28	EVF
2	57	0.28	0.75	16	empty

Compared structures

5JG3 · Human carbonic anhydrase II (121T/N67Q) complexed with benzo[d]thiazole-2-sulfonamide · the same entry in another collection · chain B against B, TM-score 1.00
P00918 · AlphaFold monomer V2.0 prediction for carbonic anhydrase 2 (P00918) · a predicted model of the same protein · chain B against A, TM-score 0.99

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Every structure of UniProt P00918
Elsewhere: RCSB PDB 5JG3 · PDBe 5JG3 · UniProt P00918

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