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Avian mitochondrial complex II with Atpenin A5 bound, sidechain in pocket

Analyse Avian mitochondrial complex II with Atpenin A5 bound, sidechain in pocket in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6MYT
Type
protein
Length
1,092 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v2 / PDB Bank
Contract
0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner
0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution
2.27
Source
Gallus gallus
Molecule
Succinate dehydrogenase [ubiquinone] flavoprotein subunit, mitochondrial; Succinate…
EC
1.3.5.1
UniProt
F1NPJ4, Q9YHT2, D0VWW3, Q5ZIS0
Ligands
UNL, FAD, OAA, FES, SF4, F3S, AT5, HEM, UMQ, 3PE, K
Pockets
16 · best druggability 0.86

Structure

x-ray diffraction · resolution 2.27 · 4 distinct chains · 43% helix, 16% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ASuccinate dehydrogenase [ubiquinone] flavoprotein subunit, mitochondrial (EC 1.3.5.1)protein61134% helix, 23% strandF1NPJ4
BSuccinate dehydrogenase [ubiquinone] iron-sulfur subunit, mitochondrial (EC 1.3.5.1)protein24031% helix, 15% strandQ9YHT2
CSuccinate dehydrogenase cytochrome b, large subunit (EC 1.3.5.1)protein13973% helix, 1% strandD0VWW3
DSuccinate dehydrogenase [ubiquinone] cytochrome b small subunit, mitochondrialprotein10286% helix, 0% strandQ5ZIS0

Ligands and binding sites

  • UNL · Unknown ligand · ligand · 59 copies · chains A, B, C, D
  • FAD · Flavin-adenine dinucleotide · ligand · chains A, B
  • OAA · Oxaloacetate ion · ligand · chains A
  • FES · Fe2/s2 (inorganic) cluster · ligand · chains B
  • SF4 · Iron/sulfur cluster · ligand · chains B
  • F3S · FE3-S4 cluster · ligand · chains B
  • AT5 · 3-[(2S,4S,5R)-5,6-dichloro-2,4-dimethyl-1-oxohexyl]-4-hydroxy-5,6-dimethoxy-2(1H)-pyridinone · ligand · chains B, C, D
  • HEM · Protoporphyrin IX containing Fe · ligand · chains B, C, D
  • UMQ · Undecyl-maltoside · ligand · chains B, C
  • 3PE · 1,2-diacyl-sn-glycero-3-phosphoethanolamine · ligand · chains C, D
  • K · Potassium ion · metal · chains A
  • PEG · Di(hydroxyethyl)ether · additive · chains A, B

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

Pockets

16 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
19800.860.8793AT5, HEM, UNL, 3PE
22980.850.9551FAD, OAA, UNL
31010.760.9619UNL
42960.720.8637UNL
54350.680.8037PEG, UNL

Interfaces

5 interfaces between chains.

  • A–B · 2668 Ų buried · 52 hydrogen bonds · protein-protein
  • B–C · 1810 Ų buried · 18 hydrogen bonds · protein-protein
  • C–D · 1409 Ų buried · 13 hydrogen bonds · protein-protein
  • B–D · 634 Ų buried · 14 hydrogen bonds · protein-protein
  • A–C · 151 Ų buried · 3 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 1 cofactor, 1 modified (flavinylation, methylation).

Compared structures

  • 6MYT · Avian mitochondrial complex II with atpenin A5 bound, sidechain in pocket · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9YHT2 · AlphaFold monomer V2.0 prediction for succinate dehydrogenase [ubiquinone] iron-sulfur… · a predicted model of the same protein · chain B against A, TM-score 1.00
  • Q5ZIS0 · AlphaFold monomer V2.0 prediction for succinate dehydrogenase [ubiquinone] cytochrome B… · a predicted model of the same protein · chain D against A, TM-score 0.99

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