MolNFT v1 · #23457 · protein

Crystal structure of mycobacterium tuberculosis NAD kinase

1U0T · Inorganic POLYPHOSPHATE/ATP-NAD kinase: “Crystal structure of mycobacterium tuberculosis NAD kinase”. X-ray diffraction, 5 pockets (best druggability 0.49). MolNFT v1 #23457 on GenesisL1: 3D structure, binding sites and pockets in…

PDB: 1U0T
Type: protein
Length: 543 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Inorganic POLYPHOSPHATE/ATP-NAD kinase
EC: 2.7.1.23
UniProt: P0A5S6
Pockets: 5 · best druggability 0.49

Structure

x-ray diffraction · 2 distinct chains · 22% helix, 38% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Inorganic POLYPHOSPHATE/ATP-NAD kinase (EC 2.7.1.23)	protein	267	22% helix, 39% strand	P0A5S6
B	Inorganic POLYPHOSPHATE/ATP-NAD kinase (EC 2.7.1.23)	protein	276	22% helix, 38% strand	P0A5S6

Pockets

5 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	133	0.49	0.79	30	empty
2	78	0.45	0.82	17	empty
3	82	0.45	0.81	15	empty
4	81	0.42	0.80	23	empty
5	66	0.29	0.73	16	empty

Interfaces

1 interface between chains.

A–B · 2103 Å² buried · 32 hydrogen bonds · protein-protein

Compared structures

1U0T · Crystal structure of Mycobacterium tuberculosis NAD kinase · 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 P0A5S6
Elsewhere: RCSB PDB 1U0T · PDBe 1U0T · UniProt P0A5S6

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