MolNFT v1 · #24585 · protein

Maba from mycobacterium tuberculosis

1UZL · 3-oxoacyl-[acyl-carrier protein] reductase: “Maba from mycobacterium tuberculosis”. X-ray diffraction, 1 ligand (CS), 5 pockets (best druggability 0.70). MolNFT v1 #24585 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 1UZL
Type: protein
Length: 457 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: 3-oxoacyl-[acyl-carrier protein] reductase
EC: 1.1.1.100
UniProt: Q48930
Ligands: CS
Pockets: 5 · best druggability 0.70

Structure

x-ray diffraction · 2 distinct chains · 43% helix, 18% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	3-oxoacyl-[acyl-carrier protein] reductase (EC 1.1.1.100)	protein	231	44% helix, 17% strand	Q48930
B	3-oxoacyl-[acyl-carrier protein] reductase (EC 1.1.1.100)	protein	226	42% helix, 18% strand	Q48930

Ligands and binding sites

CS · Cesium ion · metal · 4 copies · chains A, B

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	446	0.70	0.81	51	empty
2	407	0.68	0.80	47	empty
3	209	0.63	0.83	32	empty
4	157	0.48	0.77	28	empty
5	66	0.44	0.82	22	empty

Interfaces

1 interface between chains.

A–B · 1746 Å² buried · 21 hydrogen bonds · protein-protein

Compared structures

1UZL · MabA from Mycobacterium tuberculosis · 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 Q48930
Elsewhere: RCSB PDB 1UZL · PDBe 1UZL · UniProt Q48930

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