MolNFT v1 · #82851 · protein

Crystal structure of T173S mutant of phab from ralstonia eutropha

3VZR · Acetoacetyl-CoA reductase: “Crystal structure of T173S mutant of phab from ralstonia eutropha”. X-ray diffraction, 4 pockets (best druggability 0.69). MolNFT v1 #82851 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 3VZR
Type: protein
Length: 488 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Acetoacetyl-CoA reductase
EC: 1.1.1.36
UniProt: P14697
Pockets: 4 · best druggability 0.69

Structure

x-ray diffraction · 1 distinct chain · 48% helix, 16% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
B, A	Acetoacetyl-CoA reductase (EC 1.1.1.36)	protein	244	48% helix, 16% strand	P14697

Pockets

4 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	511	0.69	0.79	55	empty
2	456	0.67	0.79	53	empty
3	179	0.55	0.80	29	empty
4	56	0.25	0.73	14	empty

Interfaces

1 interface between chains.

B–A · 1385 Å² buried · 16 hydrogen bonds · protein-protein

Compared structures

3VZR · Crystal structure of T173S mutant of PhaB from Ralstonia eutropha · the same entry in another collection · chain B against B, TM-score 1.00
P14697 · AlphaFold monomer V2.0 prediction for acetoacetyl-CoA reductase (P14697) · 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 P14697
Elsewhere: RCSB PDB 3VZR · PDBe 3VZR · UniProt P14697

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