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MolNFT v1 · #63724 · protein

Crystal structure of malate dehydrogenase from porphyromonas gingivalis

3FI9: “Crystal structure of malate dehydrogenase from porphyromonas gingivalis”. X-ray diffraction, 5 pockets (best druggability 0.67). MolNFT v1 #63724 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
3FI9
Type
protein
Length
641 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Malate dehydrogenase
UniProt
B2RM04
Pockets
5 · best druggability 0.67

Structure

x-ray diffraction · 2 distinct chains · 49% helix, 20% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AMalate dehydrogenaseprotein32149% helix, 20% strandB2RM04
BMalate dehydrogenaseprotein32049% helix, 20% strandB2RM04

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15480.670.7857empty
22680.640.8138empty
32220.620.8235empty
4560.450.8414empty
5630.420.8114empty

Interfaces

1 interface between chains.

  • A–B · 2059 Ų buried · 41 hydrogen bonds · protein-protein

Compared structures

  • 3FI9 · Crystal structure of malate dehydrogenase from Porphyromonas gingivalis · the same entry in another collection · chain A against A, TM-score 1.00

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