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Crystal structure of ilvn. val-1C

Analyse Crystal structure of ilvn. val-1C in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 5YPY
Type: protein
Length: 362 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Acetolactate synthase isozyme 1 small subunit
EC: 2.2.1.6
UniProt: P0ADF8
Ligands: VAL
Pockets: 3 · best druggability 0.57

Structure

x-ray diffraction · 2 distinct chains · 31% helix, 33% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, C	Acetolactate synthase isozyme 1 small subunit (EC 2.2.1.6)	protein	91	32% helix, 33% strand	P0ADF8
B, D	Acetolactate synthase isozyme 1 small subunit (EC 2.2.1.6)	protein	90	31% helix, 33% strand	P0ADF8

Ligands and binding sites

VAL · Valine · ligand · 4 copies · chains A, B, C, D

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	373	0.57	0.75	34	empty
2	125	0.42	0.76	17	empty
3	79	0.33	0.74	17	empty

Interfaces

3 interfaces between chains.

A–B · 1238 Å² buried · 20 hydrogen bonds · protein-protein
C–D · 1192 Å² buried · 17 hydrogen bonds · protein-protein
A–D · 290 Å² buried · 10 hydrogen bonds · protein-protein

Compared structures

5YPY · Crystal structure of IlvN. Val-1c · the same entry in another collection · chain D against D, TM-score 1.00
P0ADF8 · AlphaFold monomer V2.0 prediction for acetolactate synthase isozyme 1 small subunit… · a predicted model of the same protein · chain B against A, TM-score 0.88

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 P0ADF8
Elsewhere: RCSB PDB 5YPY · PDBe 5YPY · UniProt P0ADF8

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