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Complex II (succinate dehydrogenase) from E. COLI with atpenin A5 inhibitor co-crystallized at the ubiquinone binding site

Analyse Complex II (succinate dehydrogenase) from E. COLI with atpenin A5 inhibitor… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2ACZ
Type
protein
Length
1,068 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Succinate dehydrogenase flavoprotein subunit; Succinate dehydrogenase iron-sulfur…
EC
1.3.99.1
UniProt
P10444, P07014, P69054, P10445
Ligands
OAA, FAD, FES, SF4, F3S, HEB, AT5, CDN
Pockets
12 · best druggability 0.86

Structure

x-ray diffraction · 4 distinct chains · 44% helix, 13% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ASuccinate dehydrogenase flavoprotein subunit (EC 1.3.99.1)protein58835% helix, 18% strandP10444
BSuccinate dehydrogenase iron-sulfur protein (EC 1.3.99.1)protein23833% helix, 15% strandP07014
CSuccinate dehydrogenase cytochrome B556 subunitprotein12975% helix, 1% strandP69054
DSuccinate dehydrogenase hydrophobic membrane anchor proteinprotein11379% helix, 0% strandP10445

Ligands and binding sites

  • OAA · Oxaloacetate ion · ligand · chains A
  • FAD · Flavin-adenine dinucleotide · ligand · chains A, B
  • FES · Fe2/s2 (inorganic) cluster · ligand · chains B
  • SF4 · Iron/sulfur cluster · ligand · chains B
  • F3S · FE3-S4 cluster · ligand · chains B
  • HEB · Heme B/C · ligand · chains B, C, D
  • 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
  • CDN · Cardiolipin · ligand · chains C, D

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

Pockets

12 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13250.860.9653OAA, FAD
211860.860.8695HEB, AT5, CDN
35340.700.7949empty
42410.680.8437empty
54800.670.7962empty

Interfaces

5 interfaces between chains.

  • A–B · 2677 Ų buried · 43 hydrogen bonds · protein-protein
  • B–C · 1284 Ų buried · 9 hydrogen bonds · protein-protein
  • C–D · 1145 Ų buried · 5 hydrogen bonds · protein-protein
  • B–D · 601 Ų buried · 5 hydrogen bonds · protein-protein
  • A–C · 69 Ų buried · 0 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 1 cofactor (flavinylation).

Compared structures

  • 2ACZ · Complex II (Succinate Dehydrogenase) From E. Coli with Atpenin A5 inhibitor… · the same entry in another collection · chain A against A, TM-score 1.00
  • P07014 · AlphaFold monomer V2.0 prediction for succinate dehydrogenase iron- sulfur subunit… · a predicted model of the same protein · chain B against A, TM-score 0.99
  • P69054 · AlphaFold monomer V2.0 prediction for succinate dehydrogenase cytochrome B556 subunit… · a predicted model of the same protein · chain C against A, TM-score 0.91

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