MolNFT v1 · #52314 · protein

Crystal structure of human enoyl coenzyme a hydratase domain-containing protein 3 (ECHDC3)

2VX2 · Enoyl-CoA hydratase domain-containing protein 3: “Crystal structure of human enoyl coenzyme a hydratase domain-containing protein 3 (ECHDC3)”. X-ray diffraction, 20 pockets (best druggability 0.81). MolNFT v1 #52314 on GenesisL1: 3D…

PDB: 2VX2
Type: protein
Length: 2,293 residues
Chains: 9
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Enoyl-CoA hydratase domain-containing protein 3
UniProt: Q96DC8
Pockets: 20 · best druggability 0.81

Structure

x-ray diffraction · 7 distinct chains · 53% helix, 16% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, C, D	Enoyl-CoA hydratase domain-containing protein 3	protein	256	51% helix, 16% strand	Q96DC8
B	Enoyl-CoA hydratase domain-containing protein 3	protein	255	53% helix, 16% strand	Q96DC8
E	Enoyl-CoA hydratase domain-containing protein 3	protein	255	51% helix, 16% strand	Q96DC8
F	Enoyl-CoA hydratase domain-containing protein 3	protein	254	52% helix, 17% strand	Q96DC8
G	Enoyl-CoA hydratase domain-containing protein 3	protein	253	54% helix, 17% strand	Q96DC8
H	Enoyl-CoA hydratase domain-containing protein 3	protein	254	54% helix, 17% strand	Q96DC8
I	Enoyl-CoA hydratase domain-containing protein 3	protein	254	54% helix, 16% strand	Q96DC8

Pockets

20 pockets found on a 1 Å grid, 16 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	860	0.81	0.83	51	empty
2	880	0.81	0.83	51	empty
3	926	0.80	0.82	57	empty
4	581	0.71	0.79	54	empty
5	53	0.69	0.97	19	empty

Interfaces

12 interfaces between chains.

D–F · 2147 Å² buried · 19 hydrogen bonds · protein-protein
A–C · 2136 Å² buried · 22 hydrogen bonds · protein-protein
E–F · 2113 Å² buried · 16 hydrogen bonds · protein-protein
D–E · 2110 Å² buried · 20 hydrogen bonds · protein-protein
B–C · 2096 Å² buried · 19 hydrogen bonds · protein-protein

Compared structures

2VX2 · Crystal structure of human enoyl Coenzyme A hydratase domain- containing protein 3… · the same entry in another collection · chain I against I, TM-score 1.00
Q96DC8 · AlphaFold monomer V2.0 prediction for enoyl-CoA hydratase domain- containing protein 3… · a predicted model of the same protein · chain D 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 Q96DC8
Elsewhere: RCSB PDB 2VX2 · PDBe 2VX2 · UniProt Q96DC8

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