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Apo-structure of the Y79F,W322E-double mutant of ETR1P

Analyse Apo-structure of the Y79F,W322E-double mutant of ETR1P in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 4W99
Type: protein
Length: 728 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Enoyl-[acyl-carrier-protein] reductase [NADPH, B-specific] 1, mitochondrial
EC: 1.3.1.10, 1.3.1.38
UniProt: Q8WZM3
Ligands: SO4
Pockets: 8 · best druggability 0.76

Structure

x-ray diffraction · 1 distinct chain · 35% helix, 25% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Enoyl-[acyl-carrier-protein] reductase [NADPH, B-specific] 1, mitochondrial (EC 1.3.1.10, 1.3.1.38)	protein	364	35% helix, 25% strand	Q8WZM3

Ligands and binding sites

SO4 · Sulfate ion · ion · 7 copies · chains A, B
GOL · Glycerol · additive · 3 copies · chains A, B

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

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	794	0.76	0.80	89	GOL, SO4
2	561	0.69	0.79	65	SO4
3	98	0.69	0.92	17	empty
4	153	0.45	0.76	22	SO4
5	91	0.36	0.75	16	empty

Interfaces

1 interface between chains.

A–B · 943 Å² buried · 13 hydrogen bonds · protein-protein

Compared structures

4W99 · Apo-structure of the Y79F,W322E-double mutant of Etr1p · the same entry in another collection · chain A against A, TM-score 1.00
Q8WZM3 · AlphaFold monomer V2.0 prediction for enoyl-[acyl-carrier-protein] reductase 1… · a predicted model of the same protein · 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 Q8WZM3
Elsewhere: RCSB PDB 4W99 · PDBe 4W99 · UniProt Q8WZM3

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