MolNFT v1 · #69885 · protein

Crystal structure of an enoyl-CoA HYDROTASE/ISOMERASE family protein from silicibacter pomeroyi

3L3S · Enoyl-CoA HYDRATASE/ISOMERASE family protein: “Crystal structure of an enoyl-CoA HYDROTASE/ISOMERASE family protein from silicibacter pomeroyi”. X-ray diffraction, 20 pockets (best druggability 0.87). MolNFT v1 #69885 on GenesisL1…

PDB: 3L3S
Type: protein
Length: 2,789 residues
Chains: 12
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Enoyl-CoA HYDRATASE/ISOMERASE family protein
UniProt: Q5LQZ3
Pockets: 20 · best druggability 0.87

Structure

x-ray diffraction · 8 distinct chains · 48% helix, 17% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Enoyl-CoA HYDRATASE/ISOMERASE family protein	protein	232	49% helix, 17% strand	Q5LQZ3
B	Enoyl-CoA HYDRATASE/ISOMERASE family protein	protein	234	48% helix, 16% strand	Q5LQZ3
C	Enoyl-CoA HYDRATASE/ISOMERASE family protein	protein	234	49% helix, 17% strand	Q5LQZ3
D, H, K	Enoyl-CoA HYDRATASE/ISOMERASE family protein	protein	232	47% helix, 18% strand	Q5LQZ3
E, F	Enoyl-CoA HYDRATASE/ISOMERASE family protein	protein	231	47% helix, 16% strand	Q5LQZ3
G, J	Enoyl-CoA HYDRATASE/ISOMERASE family protein	protein	233	48% helix, 16% strand	Q5LQZ3
I	Enoyl-CoA HYDRATASE/ISOMERASE family protein	protein	234	47% helix, 17% strand	Q5LQZ3
L	Enoyl-CoA HYDRATASE/ISOMERASE family protein	protein	231	47% helix, 17% strand	Q5LQZ3

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	982	0.87	0.89	100	empty
2	553	0.83	0.89	66	empty
3	422	0.81	0.89	44	empty
4	339	0.77	0.88	43	empty
5	664	0.77	0.82	70	empty

Interfaces

32 interfaces between chains.

K–L · 1883 Å² buried · 16 hydrogen bonds · protein-protein
A–B · 1836 Å² buried · 18 hydrogen bonds · protein-protein
B–C · 1834 Å² buried · 19 hydrogen bonds · protein-protein
J–L · 1827 Å² buried · 18 hydrogen bonds · protein-protein
H–I · 1819 Å² buried · 18 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 96 modified (engineered, oxidation).

Compared structures

3L3S · Crystal structure of an enoyl-CoA hydrotase/isomerase family protein from Silicibacter… · 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 Q5LQZ3
Elsewhere: RCSB PDB 3L3S · PDBe 3L3S · UniProt Q5LQZ3

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