MolNFT v1 · #17163 · protein

3-mercaptopyruvate sulfurtransferase from leishmania major

1OKG · Possible 3-mercaptopyruvate sulfurtransferase: “3-mercaptopyruvate sulfurtransferase from leishmania major”. X-ray diffraction, 2 ligands (CA, SO3), 4 pockets (best druggability 0.43). MolNFT v1 #17163 on GenesisL1: 3D structure…

PDB: 1OKG
Type: protein
Length: 362 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Possible 3-mercaptopyruvate sulfurtransferase
EC: 2.8.1.2
UniProt: Q9NE49
Ligands: CA, SO3
Pockets: 4 · best druggability 0.43

Structure

x-ray diffraction · 1 distinct chain · 26% helix, 16% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Possible 3-mercaptopyruvate sulfurtransferase (EC 2.8.1.2)	protein	362	26% helix, 16% strand	Q9NE49

Ligands and binding sites

CA · Calcium ion · metal · chains A
SO3 · Sulfite ion · ion · chains A

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

Pockets

4 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	134	0.43	0.76	25	SO3
2	61	0.37	0.79	17	empty
3	74	0.34	0.76	15	empty
4	63	0.26	0.72	15	empty

Modifications

Observed in the structure: 15 modified (engineered, oxidation, nonstandard).

Compared structures

1OKG · 3-mercaptopyruvate sulfurtransferase from Leishmania major · 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 Q9NE49
Elsewhere: RCSB PDB 1OKG · PDBe 1OKG · UniProt Q9NE49

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