MolNFT v1 · #93236 · protein

Crystal structure analysis of 6-phosphogluconate dehydrogenase apo- form

4GWG · 6-phosphogluconate dehydrogenase, decarboxylating: “Crystal structure analysis of 6-phosphogluconate dehydrogenase apo- form”. X-ray diffraction, 2 pockets (best druggability 0.62). MolNFT v1 #93236 on GenesisL1: 3D structure…

PDB: 4GWG
Type: protein
Length: 467 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: 6-phosphogluconate dehydrogenase, decarboxylating
EC: 1.1.1.44
UniProt: P52209
Pockets: 2 · best druggability 0.62

Structure

x-ray diffraction · 1 distinct chain · 57% helix, 11% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	6-phosphogluconate dehydrogenase, decarboxylating (EC 1.1.1.44)	protein	467	57% helix, 11% strand	P52209

Ligands and binding sites

MES · 2-(N-morpholino)-ethanesulfonic acid · additive · 2 copies · chains A

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

Pockets

2 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	428	0.62	0.76	31	empty
2	117	0.45	0.78	18	MES

Compared structures

4GWG · Crystal Structure Analysis of 6-phosphogluconate dehydrogenase apo-form · the same entry in another collection · chain A against A, TM-score 1.00
P52209 · AlphaFold monomer V2.0 prediction for 6-phosphogluconate dehydrogenase, decarboxylating… · a predicted model of the same protein · chain A against A, TM-score 0.96

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 P52209
Elsewhere: RCSB PDB 4GWG · PDBe 4GWG · UniProt P52209

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