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PANK3-amppnp complex

Analyse PANK3-amppnp complex in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 5KPT
Type: protein
Length: 342 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Pantothenate kinase 3
EC: 2.7.1.33
UniProt: Q9H999
Ligands: ANP, MG
Pockets: 4 · best druggability 0.70

Structure

x-ray diffraction · 1 distinct chain · 41% helix, 27% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Pantothenate kinase 3 (EC 2.7.1.33)	protein	342	41% helix, 27% strand	Q9H999

Ligands and binding sites

ANP · Phosphoaminophosphonic acid-adenylate ester · ligand · chains A
MG · Magnesium ion · metal · chains A
EDO · 1,2-ethanediol · additive · 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, 3 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	399	0.70	0.81	39	empty
2	295	0.63	0.80	39	MG, ANP, EDO
3	268	0.54	0.76	30	empty
4	101	0.45	0.80	20	empty

Compared structures

5KPT · PANK3-AMPPNP complex · the same entry in another collection · chain A against A, TM-score 1.00
Q9H999 · AlphaFold monomer V2.0 prediction for pantothenate kinase 3 (Q9H999) · a predicted model of the same protein · 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 Q9H999
Elsewhere: RCSB PDB 5KPT · PDBe 5KPT · UniProt Q9H999

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