Research workbench

Escherichia COLI ketol-acid reductoisomerase

Analyse Escherichia COLI ketol-acid reductoisomerase in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 1YRL
Type: protein
Length: 1,875 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Ketol-acid reductoisomerase
EC: 1.1.1.86
UniProt: P05793
Ligands: SO4
Pockets: 19 · best druggability 0.77

Structure

x-ray diffraction · 3 distinct chains · 64% helix, 7% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, C	Ketol-acid reductoisomerase (EC 1.1.1.86)	protein	487	65% helix, 8% strand	P05793
B	Ketol-acid reductoisomerase (EC 1.1.1.86)	protein	431	64% helix, 6% strand	P05793
D	Ketol-acid reductoisomerase (EC 1.1.1.86)	protein	470	62% helix, 7% strand	P05793

Ligands and binding sites

SO4 · Sulfate ion · ion · 9 copies · chains A, D, B, C

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

Pockets

19 pockets found on a 1 Å grid, 10 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	480	0.77	0.85	62	SO4
2	491	0.76	0.84	59	empty
3	426	0.73	0.83	43	empty
4	382	0.70	0.82	46	empty
5	376	0.69	0.81	46	empty

Interfaces

5 interfaces between chains.

A–C · 994 Å² buried · 20 hydrogen bonds · protein-protein
B–D · 977 Å² buried · 19 hydrogen bonds · protein-protein
A–D · 533 Å² buried · 7 hydrogen bonds · protein-protein
B–C · 527 Å² buried · 7 hydrogen bonds · protein-protein
C–D · 11 Å² buried · 0 hydrogen bonds · protein-protein

Compared structures

1YRL · Escherichia coli ketol-acid reductoisomerase · the same entry in another collection · chain A against A, TM-score 1.00
P05793 · AlphaFold monomer V2.0 prediction for ketol-acid reductoisomerase (NADP(+)) (P05793) · a predicted model of the same protein · chain B against A, TM-score 0.98

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 P05793
Elsewhere: RCSB PDB 1YRL · PDBe 1YRL · UniProt P05793

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