MolNFT v1 · #183777 · protein

Crystal structure of a tetrameric form of carbonic anhydrase from schistosoma mansoni

7O2S: “Crystal structure of a tetrameric form of carbonic anhydrase from schistosoma mansoni”. X-ray diffraction, 2 ligands (NAG, ZN), 2 pockets (best druggability 0.57). MolNFT v1 #183777 on GenesisL1: 3D structure, binding sites and…

PDB: 7O2S
Type: protein
Length: 276 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Carbonic anhydrase
EC: 4.2.1.1
UniProt: A0A3Q0KSG2
Ligands: NAG, ZN
Pockets: 2 · best druggability 0.57

Structure

x-ray diffraction · 1 distinct chain · 16% helix, 28% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Carbonic anhydrase (EC 4.2.1.1)	protein	276	16% helix, 28% strand	A0A3Q0KSG2

Ligands and binding sites

NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 3 copies · chains A
ZN · Zinc ion · metal · 6 copies · chains A

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	168	0.57	0.81	24	empty
2	81	0.32	0.74	29	empty

Modifications

Observed in the structure: 2 glycan, 1 disulfide (N-glycosylation, disulfide).

Compared structures

7O2S · Crystal structure of a tetrameric form of Carbonic anhydrase from Schistosoma mansoni · the same entry in another collection · chain A against A, TM-score 1.00

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 A0A3Q0KSG2
Elsewhere: RCSB PDB 7O2S · PDBe 7O2S · UniProt A0A3Q0KSG2

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