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Pantothenate kinase from mycobacterium tuberculosis (mtpank) in complex with gmppcp and pantothenate

Analyse Pantothenate kinase from mycobacterium tuberculosis (mtpank) in complex with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 3AF3
Type: protein
Length: 307 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Pantothenate kinase
EC: 2.7.1.33
UniProt: P63810
Ligands: GCP, PAU
Pockets: 4 · best druggability 0.76

Structure

x-ray diffraction · 1 distinct chain · 46% helix, 17% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Pantothenate kinase (EC 2.7.1.33)	protein	307	46% helix, 17% strand	P63810

Ligands and binding sites

GCP · Phosphomethylphosphonic acid guanylate ester · ligand · chains A
PAU · Pantothenoic acid · ligand · chains A
GOL · Glycerol · additive · 9 copies · chains A

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

Pockets

4 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	589	0.76	0.83	54	GCP, PAU, GOL
2	68	0.60	0.90	19	empty
3	82	0.35	0.75	14	empty
4	74	0.31	0.74	14	GOL

Compared structures

3AF3 · Pantothenate kinase from Mycobacterium tuberculosis (MtPanK) in complex with GMPPCP and… · 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 P63810
Elsewhere: RCSB PDB 3AF3 · PDBe 3AF3 · UniProt P63810

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