MolNFT v1 · #66174 · protein

Crystal structure of putative enoyl-CoA hydratase from rhodopseudomonas palustris CGA009

3HIN · Putative 3-hydroxybutyryl-CoA dehydratase: “Crystal structure of putative enoyl-CoA hydratase from rhodopseudomonas palustris CGA009”. X-ray diffraction, 4 pockets (best druggability 0.61). MolNFT v1 #66174 on GenesisL1: 3D…

PDB: 3HIN
Type: protein
Length: 509 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Putative 3-hydroxybutyryl-CoA dehydratase
EC: 4.2.1.55
UniProt: Q6N8W7
Pockets: 4 · best druggability 0.61

Structure

x-ray diffraction · 2 distinct chains · 53% helix, 17% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Putative 3-hydroxybutyryl-CoA dehydratase (EC 4.2.1.55)	protein	258	54% helix, 16% strand	Q6N8W7
B	Putative 3-hydroxybutyryl-CoA dehydratase (EC 4.2.1.55)	protein	251	52% helix, 17% strand	Q6N8W7

Pockets

4 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	291	0.61	0.79	32	empty
2	281	0.60	0.79	33	empty
3	196	0.51	0.77	25	empty
4	202	0.50	0.76	23	empty

Interfaces

1 interface between chains.

A–B · 123 Å² buried · 3 hydrogen bonds · protein-protein

Compared structures

3HIN · CRYSTAL STRUCTURE OF putative enoyl-CoA hydratase from Rhodopseudomonas palustris CGA009 · 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 Q6N8W7
Elsewhere: RCSB PDB 3HIN · PDBe 3HIN · UniProt Q6N8W7

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