MolNFT v1 · #187438 · protein

Glucose-6-phosphate 1-dehydrogenase (K403QDLTL)

7SEH: “Glucose-6-phosphate 1-dehydrogenase (K403QDLTL)”. X-ray diffraction, 1 ligand (NAP), 6 pockets (best druggability 0.82). MolNFT v1 #187438 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 7SEH
Type: protein
Length: 885 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Glucose-6-phosphate 1-dehydrogenase
EC: 1.1.1.49
UniProt: P11413
Ligands: NAP
Pockets: 6 · best druggability 0.82

Structure

x-ray diffraction · 2 distinct chains · 39% helix, 19% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Glucose-6-phosphate 1-dehydrogenase (EC 1.1.1.49)	protein	442	40% helix, 20% strand	P11413
B	Glucose-6-phosphate 1-dehydrogenase (EC 1.1.1.49)	protein	443	39% helix, 19% strand	P11413

Ligands and binding sites

NAP · Nadp nicotinamide-adenine-dinucleotide phosphate · ligand · 2 copies · chains A, B

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	964	0.82	0.83	89	NAP
2	60	0.72	0.98	22	empty
3	319	0.69	0.83	57	NAP
4	95	0.55	0.85	20	empty
5	59	0.37	0.79	15	empty

Interfaces

1 interface between chains.

A–B · 573 Å² buried · 7 hydrogen bonds · protein-protein

Compared structures

7SEH · Glucose-6-phosphate 1-dehydrogenase (K403QdLtL) · the same entry in another collection · chain A against A, TM-score 1.00
P11413 · AlphaFold monomer V2.0 prediction for glucose-6-phosphate 1-dehydrogenase (P11413) · a predicted model of the same protein · chain B against A, TM-score 0.95

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 P11413
Elsewhere: RCSB PDB 7SEH · PDBe 7SEH · UniProt P11413

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