MolNFT v1 · #144876 · protein

Crystal structure of enoyl-CoA hydratase, ECHA3, from mycobacterium ulcerans AGY99

6C7C: “Crystal structure of enoyl-CoA hydratase, ECHA3, from mycobacterium ulcerans AGY99”. X-ray diffraction, 6 pockets (best druggability 0.77). MolNFT v1 #144876 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6C7C
Type: protein
Length: 689 residues
Chains: 3
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Enoyl-CoA hydratase, ECHA3
UniProt: A0PLZ7
Pockets: 6 · best druggability 0.77

Structure

x-ray diffraction · 3 distinct chains · 52% helix, 16% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Enoyl-CoA hydratase, ECHA3	protein	231	52% helix, 15% strand	A0PLZ7
B	Enoyl-CoA hydratase, ECHA3	protein	228	53% helix, 16% strand	A0PLZ7
C	Enoyl-CoA hydratase, ECHA3	protein	230	52% helix, 16% strand	A0PLZ7

Pockets

6 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	730	0.77	0.81	55	empty
2	476	0.69	0.80	61	empty
3	89	0.54	0.84	21	empty
4	93	0.50	0.82	21	empty
5	106	0.47	0.79	21	empty

Interfaces

3 interfaces between chains.

B–C · 885 Å² buried · 14 hydrogen bonds · protein-protein
A–C · 879 Å² buried · 13 hydrogen bonds · protein-protein
A–B · 877 Å² buried · 14 hydrogen bonds · protein-protein

Compared structures

6C7C · Crystal structure of Enoyl-CoA hydratase, EchA3, from Mycobacterium ulcerans Agy99 · 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 A0PLZ7
Elsewhere: RCSB PDB 6C7C · PDBe 6C7C · UniProt A0PLZ7

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