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MolNFT v1 · #183017 · protein

Crystal structure of fructose-bisphosphate aldolase fbap from bacillus methanolicus

7NCC · Putative class II fructose-1,6-bisphosphate aldolase: “Crystal structure of fructose-bisphosphate aldolase fbap from bacillus methanolicus”. X-ray diffraction, 2 ligands (MLT, PO4), 2 pockets (best druggability 0.48). MolNFT v1…

PDB
7NCC
Type
protein
Length
568 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Putative class II fructose-1,6-bisphosphate aldolase
UniProt
Q6TV43
Ligands
MLT, PO4
Pockets
2 · best druggability 0.48

Structure

x-ray diffraction · 1 distinct chain · 51% helix, 15% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BPutative class II fructose-1,6-bisphosphate aldolaseprotein28451% helix, 15% strandQ6TV43

Ligands and binding sites

  • MLT · D-malate · ligand · chains A
  • PO4 · Phosphate ion · ion · 6 copies · chains A, B
  • IMD · Imidazole · additive · chains B

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

Pockets

2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11120.480.8025PO4
21100.430.7822PO4

Interfaces

1 interface between chains.

  • A–B · 1650 Ų buried · 32 hydrogen bonds · protein-protein

Compared structures

  • 7NCC · Crystal structure of fructose-bisphosphate aldolase FBAP from Bacillus methanolicus · the same entry in another collection · chain A against A, TM-score 1.00

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