MolNFT v1 · #157554 · protein

Crystal structure of an dephospho-CoA kinase coae from mycobacterium paratuberculosis

6N39: “Crystal structure of an dephospho-CoA kinase coae from mycobacterium paratuberculosis”. X-ray diffraction, 5 pockets (best druggability 0.77). MolNFT v1 #157554 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6N39
Type: protein
Length: 404 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Dephospho-CoA kinase
EC: 2.7.1.24
UniProt: Q740M4
Pockets: 5 · best druggability 0.77

Structure

x-ray diffraction · 1 distinct chain · 52% helix, 14% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Dephospho-CoA kinase (EC 2.7.1.24)	protein	404	52% helix, 14% strand	Q740M4

Ligands and binding sites

ACT · Acetate ion · additive · 6 copies · chains A

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	573	0.77	0.83	40	ACT
2	101	0.47	0.80	22	empty
3	132	0.46	0.77	26	empty
4	53	0.45	0.85	19	empty
5	55	0.26	0.73	15	empty

Compared structures

6N39 · Crystal structure of an dephospho-CoA kinase CoaE from Mycobacterium paratuberculosis · the same entry in another collection · chain A against A, TM-score 1.00
Q740M4 · AlphaFold monomer V2.0 prediction for dephospho-CoA kinase (Q740M4) · a predicted model of the same protein · chain A against A, TM-score 0.97

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 Q740M4
Elsewhere: RCSB PDB 6N39 · PDBe 6N39 · UniProt Q740M4

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