MolNFT v1 · #24586 · protein

Maba from mycobacterium tuberculosis

1UZM · 3-oxoacyl-[acyl-carrier protein] reductase: “Maba from mycobacterium tuberculosis”. X-ray diffraction, 1 ligand (CS), 4 pockets (best druggability 0.64). MolNFT v1 #24586 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 1UZM
Type: protein
Length: 438 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: P0A5Y5
Ligands: CS
Pockets: 4 · best druggability 0.64

Structure

x-ray diffraction · 2 distinct chains · 47% helix, 18% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	3-oxoacyl-[acyl-carrier protein] reductase (EC 1.1.1.100)	protein	227	48% helix, 17% strand	P0A5Y5
B	3-oxoacyl-[acyl-carrier protein] reductase (EC 1.1.1.100)	protein	211	46% helix, 18% strand	P0A5Y5

Ligands and binding sites

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

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

Pockets

4 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	217	0.64	0.83	32	empty
2	242	0.61	0.80	28	empty
3	318	0.57	0.76	75	empty
4	171	0.50	0.77	27	empty

Interfaces

1 interface between chains.

A–B · 1567 Å² buried · 20 hydrogen bonds · protein-protein

Compared structures

1UZM · MabA from Mycobacterium tuberculosis · the same entry in another collection · chain A against A, TM-score 1.00
P0A5Y5 · AlphaFold monomer V2.0 prediction for 3-oxoacyl-[acyl-carrier- protein] reductase maba… · a predicted model of the same protein · chain B against A, TM-score 0.98

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 P0A5Y5
Elsewhere: RCSB PDB 1UZM · PDBe 1UZM · UniProt P0A5Y5

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