MolNFT v1 · #67501 · protein

Crystal structure of mcat from staphylococcus aureus

3IM9 · Malonyl CoA-acyl carrier protein transacylase: “Crystal structure of mcat from staphylococcus aureus”. X-ray diffraction, 2 ligands (CA, SO4), 2 pockets (best druggability 0.63). MolNFT v1 #67501 on GenesisL1: 3D structure, binding…

PDB: 3IM9
Type: protein
Length: 313 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Malonyl CoA-acyl carrier protein transacylase
EC: 2.3.1.39
UniProt: Q99UN8
Ligands: CA, SO4
Pockets: 2 · best druggability 0.63

Structure

x-ray diffraction · 1 distinct chain · 43% helix, 18% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Malonyl CoA-acyl carrier protein transacylase (EC 2.3.1.39)	protein	313	43% helix, 18% strand	Q99UN8

Ligands and binding sites

CA · Calcium ion · metal · chains A
SO4 · Sulfate ion · ion · chains A
ACT · Acetate ion · additive · 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	238	0.63	0.82	32	ACT, SO4
2	65	0.29	0.73	13	empty

Compared structures

3IM9 · Crystal structure of MCAT from Staphylococcus aureus · the same entry in another collection · chain A against A, TM-score 1.00
Q99UN8 · AlphaFold monomer V2.0 prediction for malonyl CoA-acyl carrier protein transacylase… · a predicted model of the same protein · chain A against A, TM-score 0.97

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 Q99UN8
Elsewhere: RCSB PDB 3IM9 · PDBe 3IM9 · UniProt Q99UN8

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.