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Crystal structure of enoyl-CoA hydratase from mycobacterium smegmatis

Analyse Crystal structure of enoyl-CoA hydratase from mycobacterium smegmatis in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 3NJD
Type: protein
Length: 582 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Enoyl-CoA hydratase
EC: 4.2.1.17
UniProt: A0QS86
Pockets: 8 · best druggability 0.85

Structure

x-ray diffraction · 2 distinct chains · 50% helix, 14% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Enoyl-CoA hydratase (EC 4.2.1.17)	protein	290	50% helix, 14% strand	A0QS86
B	Enoyl-CoA hydratase (EC 4.2.1.17)	protein	292	50% helix, 14% strand	A0QS86

Pockets

8 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	873	0.85	0.86	73	empty
2	192	0.64	0.84	36	empty
3	279	0.64	0.81	40	empty
4	139	0.42	0.75	25	empty
5	132	0.41	0.75	22	empty

Interfaces

1 interface between chains.

A–B · 1202 Å² buried · 23 hydrogen bonds · protein-protein

Compared structures

3NJD · Crystal structure of enoyl-coa hydratase from mycobacterium smegmatis · 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 A0QS86
Elsewhere: RCSB PDB 3NJD · PDBe 3NJD · UniProt A0QS86

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