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MolNFT v1 · #161952 · protein

Crystal structure of phosphofructokinase from trypanosoma brucei in complex with an allosteric inhibitor CTCB12

6QU5: “Crystal structure of phosphofructokinase from trypanosoma brucei in complex with an allosteric inhibitor…”. X-ray diffraction, 1 ligand (JJ8). MolNFT v1 #161952 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
6QU5
Type
protein
Length
3,645 residues
Chains
8
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
O15648
Ligands
JJ8

Structure

x-ray diffraction · 8 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
A—protein452—O15648
B—protein459—O15648
C—protein461—O15648
D—protein453—O15648
E—protein456—O15648
F—protein456—O15648
G—protein455—O15648
H—protein453—O15648

Ligands and binding sites

  • JJ8 · 1-[(3,4-dichlorophenyl)methyl]imidazole · ligand · 2 copies · chains A, B
  • CIT · Citric acid · additive · 8 copies · chains A, B, C, D, E, F, G, H
  • GOL · Glycerol · additive · 2 copies · chains A, B

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

Compared structures

  • 6QU5 · Crystal Structure of Phosphofructokinase from Trypanosoma brucei in complex with an… · the same entry in another collection · chain H against H, TM-score 1.00
  • O15648 · AlphaFold monomer V2.0 prediction for ATP-dependent 6-phosphofructokinase (O15648) · a predicted model of the same protein · chain G against A, TM-score 0.92

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