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MolNFT v1 · #63327 · protein

Crystal structure of the regulatory domain of licms in complexed with isoleucine - type III

3F6H · Alpha-isopropylmalate synthase: “Crystal structure of the regulatory domain of licms in complexed with isoleucine - type III”. X-ray diffraction, 2 ligands (ILE, ZN). MolNFT v1 #63327 on GenesisL1: 3D structure, binding sites and…

PDB
3F6H
Type
protein
Length
244 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Alpha-isopropylmalate synthase
EC
2.3.1.182
UniProt
Q8F3Q1
Ligands
ILE, ZN

Structure

x-ray diffraction · 2 distinct chains · 25% helix, 41% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AAlpha-isopropylmalate synthase (EC 2.3.1.182)protein11926% helix, 43% strandQ8F3Q1
BAlpha-isopropylmalate synthase (EC 2.3.1.182)protein12525% helix, 39% strandQ8F3Q1

Ligands and binding sites

  • ILE · Isoleucine · ligand · 2 copies · chains A, B
  • ZN · Zinc ion · metal · chains A, B

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

Interfaces

1 interface between chains.

  • A–B · 513 Ų buried · 8 hydrogen bonds · protein-protein

Compared structures

  • 3F6H · Crystal structure of the regulatory domain of LiCMS in complexed with isoleucine - type… · the same entry in another collection · chain B against B, TM-score 1.00
  • Q8F3Q1 · AlphaFold monomer V2.0 prediction for (R)-citramalate synthase cima (Q8F3Q1) · a predicted model of the same protein · chain B against A, TM-score 0.97

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