MolNFT v1 · #32835 · protein

The structure of mycothiol synthase in complex with des- acetylmycothiol and coenzymea.

2C27: “The structure of mycothiol synthase in complex with des- acetylmycothiol and coenzymea.”. X-ray diffraction, 3 ligands (MA8, ACO, COA), 3 pockets (best druggability 0.81). MolNFT v1 #32835 on GenesisL1: 3D structure, binding sites…

PDB: 2C27
Type: protein
Length: 301 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Mycothiol synthase
UniProt: O53831
Ligands: MA8, ACO, COA
Pockets: 3 · best druggability 0.81

Structure

x-ray diffraction · 1 distinct chain · 35% helix, 29% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Mycothiol synthase	protein	301	35% helix, 29% strand	O53831

Ligands and binding sites

MA8 · (1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl 2-(L-cysteinylamino)-2-deoxy-alpha-D-glucopyranoside · ligand · chains A
ACO · Acetyl coenzyme *A · ligand · chains A
COA · Coenzyme A · ligand · chains A

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1066	0.81	0.83	84	MA8, COA
2	269	0.76	0.89	30	ACO
3	53	0.33	0.78	14	empty

Compared structures

2C27 · The Structure of Mycothiol Synthase in Complex with des- AcetylMycothiol and CoenzymeA. · 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 O53831
Elsewhere: RCSB PDB 2C27 · PDBe 2C27 · UniProt O53831

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