MolNFT v1 · #181977 · protein

Crystal structure of enoyl-CoA hydratase from mycolicibacterium smegmatis

7MCM: “Crystal structure of enoyl-CoA hydratase from mycolicibacterium smegmatis”. X-ray diffraction, 5 pockets (best druggability 0.46). MolNFT v1 #181977 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 7MCM
Type: protein
Length: 432 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: A0QXQ8
Pockets: 5 · best druggability 0.46

Structure

x-ray diffraction · 2 distinct chains · 51% helix, 19% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Enoyl-CoA hydratase (EC 4.2.1.17)	protein	215	52% helix, 19% strand	A0QXQ8
B	Enoyl-CoA hydratase (EC 4.2.1.17)	protein	217	51% helix, 19% strand	A0QXQ8

Ligands and binding sites

EDO · 1,2-ethanediol · additive · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

5 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	253	0.46	0.72	25	empty
2	64	0.41	0.80	24	empty
3	123	0.40	0.75	21	empty
4	102	0.38	0.75	18	empty
5	70	0.28	0.72	9	empty

Interfaces

1 interface between chains.

A–B · 13 Å² buried · 0 hydrogen bonds · protein-protein

Compared structures

7MCM · Crystal Structure of Enoyl-CoA hydratase from Mycolicibacterium 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 A0QXQ8
Elsewhere: RCSB PDB 7MCM · PDBe 7MCM · UniProt A0QXQ8

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