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Pseudopaline dehydrogenase (paodh) - NADP+ bound

Analyse Pseudopaline dehydrogenase (paodh) - NADP+ bound in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 6C4N
Type: protein
Length: 842 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Pseudopaline dehydrogenase
UniProt: Q9HUX5
Ligands: NAP
Pockets: 9 · best druggability 0.80

Structure

x-ray diffraction · 2 distinct chains · 45% helix, 15% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Pseudopaline dehydrogenase	protein	424	46% helix, 15% strand	Q9HUX5
B	Pseudopaline dehydrogenase	protein	418	45% helix, 15% strand	Q9HUX5

Ligands and binding sites

NAP · Nadp nicotinamide-adenine-dinucleotide phosphate · ligand · 2 copies · chains A, B
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, 3 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1169	0.80	0.81	86	NAP
2	1134	0.74	0.77	91	NAP
3	157	0.65	0.86	27	empty
4	133	0.47	0.78	18	empty
5	92	0.36	0.75	20	empty

Interfaces

1 interface between chains.

A–B · 1539 Å² buried · 9 hydrogen bonds · protein-protein

Compared structures

6C4N · Pseudopaline dehydrogenase (PaODH) - NADP+ bound · the same entry in another collection · chain A against A, TM-score 1.00
Q9HUX5 · AlphaFold monomer V2.0 prediction for pseudopaline synthase (Q9HUX5) · a predicted model of the same protein · chain B against A, TM-score 0.99

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 Q9HUX5
Elsewhere: RCSB PDB 6C4N · PDBe 6C4N · UniProt Q9HUX5

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