MolNFT v1 · #12460 · protein

PEPCK

1KHG · Phosphoenolpyruvate carboxykinase, cytosolic (GTP): “PEPCK”. X-ray diffraction, 1 ligand (MN), 6 pockets (best druggability 0.70). MolNFT v1 #12460 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 1KHG
Type: protein
Length: 603 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Phosphoenolpyruvate carboxykinase, cytosolic (GTP)
EC: 4.1.1.32
UniProt: P35558
Ligands: MN
Pockets: 6 · best druggability 0.70

Structure

x-ray diffraction · 1 distinct chain · 31% helix, 24% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Phosphoenolpyruvate carboxykinase, cytosolic (GTP) (EC 4.1.1.32)	protein	603	31% helix, 24% strand	P35558

Ligands and binding sites

MN · Manganese (II) ion · metal · chains A
EDO · 1,2-ethanediol · additive · 2 copies · chains A

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

Pockets

6 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	390	0.70	0.82	59	MN
2	122	0.54	0.82	20	empty
3	91	0.50	0.83	19	empty
4	74	0.50	0.85	22	empty
5	106	0.43	0.78	22	empty

Compared structures

1KHG · PEPCK · the same entry in another collection · chain A against A, TM-score 1.00
P35558 · AlphaFold monomer V2.0 prediction for phosphoenolpyruvate carboxykinase, cytosolic [GTP]… · 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 P35558
Elsewhere: RCSB PDB 1KHG · PDBe 1KHG · UniProt P35558

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