MolNFT v1 · #46078 · protein

Crystal structure of maba-C60V/G139A/S144L

2NTN · 3-oxoacyl-[acyl-carrier-protein] reductase: “Crystal structure of maba-C60V/G139A/S144L”. X-ray diffraction, 5 pockets (best druggability 0.62). MolNFT v1 #46078 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 2NTN
Type: protein
Length: 425 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: P0A5Y4
Pockets: 5 · best druggability 0.62

Structure

x-ray diffraction · 2 distinct chains · 45% helix, 18% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	3-oxoacyl-[acyl-carrier-protein] reductase (EC 1.1.1.100)	protein	218	44% helix, 18% strand	P0A5Y4
B	3-oxoacyl-[acyl-carrier-protein] reductase (EC 1.1.1.100)	protein	207	46% helix, 19% strand	P0A5Y4

Pockets

5 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	190	0.62	0.83	32	empty
2	195	0.52	0.77	27	empty
3	204	0.49	0.76	29	empty
4	98	0.35	0.74	26	empty
5	56	0.27	0.73	17	empty

Interfaces

1 interface between chains.

A–B · 1576 Å² buried · 18 hydrogen bonds · protein-protein

Compared structures

2NTN · Crystal structure of MabA-C60V/G139A/S144L · 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 P0A5Y4
Elsewhere: RCSB PDB 2NTN · PDBe 2NTN · UniProt P0A5Y4

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