MolNFT v1 · #49138 · protein

Rat cytosolic pepck in complex with GTP

2QEY · Phosphoenolpyruvate carboxykinase, cytosolic [GTP]: “Rat cytosolic pepck in complex with GTP”. X-ray diffraction, 3 ligands (GTP, MN, NA), 9 pockets (best druggability 0.70). MolNFT v1 #49138 on GenesisL1: 3D structure, binding…

PDB: 2QEY
Type: protein
Length: 610 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: P07379
Ligands: GTP, MN, NA
Pockets: 9 · best druggability 0.70

Structure

x-ray diffraction · 1 distinct chain · 30% helix, 23% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Phosphoenolpyruvate carboxykinase, cytosolic [GTP] (EC 4.1.1.32)	protein	610	30% helix, 23% strand	P07379

Ligands and binding sites

GTP · Guanosine-5'-triphosphate · ligand · chains A
MN · Manganese (II) ion · metal · 3 copies · chains A
NA · Sodium 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

9 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	424	0.70	0.81	58	MN, GTP, EDO
2	145	0.59	0.83	20	empty
3	56	0.49	0.86	16	empty
4	87	0.47	0.81	18	empty
5	88	0.43	0.79	22	empty

Compared structures

2QEY · Rat cytosolic PEPCK in complex with GTP · the same entry in another collection · chain A against A, TM-score 1.00
P07379 · 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 P07379
Elsewhere: RCSB PDB 2QEY · PDBe 2QEY · UniProt P07379

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