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MolNFT v1 · #167108 · protein

Crystal structure of human sdha-ADHAF2 assembly intermediate

6VAX · Succinate dehydrogenase [ubiquinone] flavoprotein subunit…: “Crystal structure of human sdha-ADHAF2 assembly intermediate”. X-ray diffraction, 3 ligands (FAD, OAA, K), 15 pockets (best druggability 0.81). MolNFT v1 #167108 on…

PDB
6VAX
Type
protein
Length
1,448 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Succinate dehydrogenase [ubiquinone] flavoprotein subunit, mitochondrial; Succinate…
EC
1.3.5.1
UniProt
P31040, Q9NX18
Ligands
FAD, OAA, K
Pockets
15 · best druggability 0.81

Structure

x-ray diffraction · 2 distinct chains · 38% helix, 18% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, CSuccinate dehydrogenase [ubiquinone] flavoprotein subunit, mitochondrial (EC 1.3.5.1)protein61134% helix, 21% strandP31040
B, DSuccinate dehydrogenase assembly factor 2, mitochondrialprotein11356% helix, 0% strandQ9NX18

Ligands and binding sites

  • FAD · Flavin-adenine dinucleotide · ligand · 2 copies · chains A, C
  • OAA · Oxaloacetate ion · ligand · 2 copies · chains A, C
  • K · Potassium ion · metal · 2 copies · chains A, C
  • EDO · 1,2-ethanediol · additive · 9 copies · chains A, C
  • GOL · Glycerol · additive · 2 copies · chains A, C
  • MLI · Malonate ion · additive · chains A

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

Pockets

15 pockets found on a 1 Å grid, 10 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
17020.810.8581FAD, OAA
211340.800.8298FAD, OAA
38830.740.7897empty
4750.730.9719empty
55250.720.8157GOL, EDO

Interfaces

3 interfaces between chains.

  • C–D · 2019 Ų buried · 23 hydrogen bonds · protein-protein
  • A–B · 2014 Ų buried · 24 hydrogen bonds · protein-protein
  • A–C · 337 Ų buried · 2 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 cofactor (flavinylation).

Compared structures

  • 6VAX · Crystal structure of human SDHA-SDHAF2 assembly intermediate · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9NX18 · AlphaFold monomer V2.0 prediction for succinate dehydrogenase assembly factor 2… · a predicted model of the same protein · chain B against A, TM-score 0.94
  • P31040 · AlphaFold monomer V2.0 prediction for succinate dehydrogenase [ubiquinone] flavoprotein… · a predicted model of the same protein · chain A against A, TM-score 0.94

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