MolNFT v1 · #183374 · protein

Crystal structure of mycobacterium tuberculosis argc in complex with nicotinamide adenine dinucleotide phosphate (NADP+)

7NNQ · N-acetyl-gamma-glutamyl-phosphate reductase: “Crystal structure of mycobacterium tuberculosis argc in complex with nicotinamide adenine dinucleotide…”. X-ray diffraction, 1 ligand (NAP), 20 pockets (best druggability 0.87). MolNFT…

PDB: 7NNQ
Type: protein
Length: 1,376 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: N-acetyl-gamma-glutamyl-phosphate reductase
EC: 1.2.1.38
UniProt: P9WPZ9
Ligands: NAP
Pockets: 20 · best druggability 0.87

Structure

x-ray diffraction · 1 distinct chain · 32% helix, 22% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C, D	N-acetyl-gamma-glutamyl-phosphate reductase (EC 1.2.1.38)	protein	344	32% helix, 22% strand	P9WPZ9

Ligands and binding sites

NAP · Nadp nicotinamide-adenine-dinucleotide phosphate · ligand · 4 copies · chains A, B, C, D
BTB · 2-[bis-(2-hydroxy-ethyl)-amino]-2-hydroxymethyl-propane-1,3-diol · additive · 3 copies · chains B, C, D

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

Pockets

20 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	447	0.87	0.95	80	empty
2	595	0.71	0.79	65	NAP
3	548	0.70	0.79	48	NAP
4	612	0.69	0.78	70	NAP
5	554	0.69	0.78	50	NAP

Interfaces

6 interfaces between chains.

C–D · 1759 Å² buried · 12 hydrogen bonds · protein-protein
A–B · 1757 Å² buried · 13 hydrogen bonds · protein-protein
A–D · 1175 Å² buried · 8 hydrogen bonds · protein-protein
B–C · 1174 Å² buried · 8 hydrogen bonds · protein-protein
A–C · 741 Å² buried · 8 hydrogen bonds · protein-protein

Compared structures

7NNQ · Crystal structure of Mycobacterium tuberculosis ArgC in complex with nicotinamide adenine… · the same entry in another collection · chain D against D, TM-score 1.00
P9WPZ9 · AlphaFold monomer V2.0 prediction for N-acetyl-gamma-glutamyl- phosphate reductase… · a predicted model of the same protein · chain D 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 P9WPZ9
Elsewhere: RCSB PDB 7NNQ · PDBe 7NNQ · UniProt P9WPZ9

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