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Crystal structure of (S)-3-hydroxybutyryl-CoA dehydrogenase PAAH1 from ralstonia eutropha

Analyse Crystal structure of (S)-3-hydroxybutyryl-CoA dehydrogenase PAAH1 from… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 4PZC
Type: protein
Length: 849 residues
Chains: 3
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: 3-hydroxyacyl-CoA dehydrogenase
EC: 1.1.1.35
UniProt: Q0KEY8
Pockets: 7 · best druggability 0.72

Structure

x-ray diffraction · 1 distinct chain · 52% helix, 15% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C	3-hydroxyacyl-CoA dehydrogenase (EC 1.1.1.35)	protein	283	52% helix, 15% strand	Q0KEY8

Pockets

7 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	53	0.72	0.99	18	empty
2	361	0.64	0.79	55	empty
3	303	0.57	0.76	39	empty
4	218	0.51	0.76	27	empty
5	222	0.49	0.75	34	empty

Interfaces

3 interfaces between chains.

B–C · 1937 Å² buried · 19 hydrogen bonds · protein-protein
A–C · 199 Å² buried · 0 hydrogen bonds · protein-protein
A–B · 173 Å² buried · 0 hydrogen bonds · protein-protein

Compared structures

4PZC · Crystal structure of (S)-3-hydroxybutyryl-CoA dehydrogenase PaaH1 from Ralstonia eutropha · the same entry in another collection · 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 Q0KEY8
Elsewhere: RCSB PDB 4PZC · PDBe 4PZC · UniProt Q0KEY8

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