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MolNFT v1 · #57653 · protein

Crystal structure of porcine heart mitochondrial complex II bound with N-biphenyl-3-yl-2-iodo-benzamide

3AEG · Succinate dehydrogenase [ubiquinone] flavoprotein subunit…: “Crystal structure of porcine heart mitochondrial complex II bound with N-biphenyl-3-yl-2-iodo-benzamide”. X-ray diffraction, 6 ligands (FAD, FES, SF4), 16 pockets (best…

PDB
3AEG
Type
protein
Length
1,092 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
Q0QF01, Q007T0, D0VWV4, A5GZW8
Ligands
FAD, FES, SF4, F3S, HEM, 11J
Pockets
16 · best druggability 0.86

Structure

x-ray diffraction · 4 distinct chains · 42% helix, 16% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ASuccinate dehydrogenase [ubiquinone] flavoprotein subunit, mitochondrial (EC 1.3.5.1)protein61332% helix, 22% strandQ0QF01
BSuccinate dehydrogenase [ubiquinone] iron-sulfur subunit, mitochondrial (EC 1.3.5.1)protein23930% helix, 15% strandQ007T0
CSuccinate dehydrogenase cytochrome B560 subunit, mitochondrialprotein13875% helix, 1% strandD0VWV4
DSuccinate dehydrogenase [ubiquinone] cytochrome B small subunit, mitochondrialprotein10281% helix, 0% strandA5GZW8

Ligands and binding sites

  • FAD · Flavin-adenine dinucleotide · 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
  • HEM · Protoporphyrin IX containing Fe · ligand · chains B, C, D
  • 11J · N-biphenyl-3-yl-2-iodobenzamide · ligand · chains B, C, D

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

Pockets

16 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13360.860.9661FAD
211440.830.8499HEM, 11J
3860.740.9619empty
42870.700.8429empty
54150.670.7935empty

Interfaces

5 interfaces between chains.

  • A–B · 2855 Ų buried · 52 hydrogen bonds · protein-protein
  • B–C · 1763 Ų buried · 19 hydrogen bonds · protein-protein
  • C–D · 1389 Ų buried · 8 hydrogen bonds · protein-protein
  • B–D · 712 Ų buried · 18 hydrogen bonds · protein-protein
  • A–C · 109 Ų buried · 2 hydrogen bonds · protein-protein

Compared structures

  • 3AEG · Crystal structure of porcine heart mitochondrial complex II bound with… · the same entry in another collection · chain D against D, TM-score 1.00
  • Q0QF01 · AlphaFold monomer V2.0 prediction for succinate dehydrogenase [ubiquinone] flavoprotein… · a predicted model of the same protein · chain A against A, TM-score 1.00
  • Q007T0 · AlphaFold monomer V2.0 prediction for succinate dehydrogenase [ubiquinone] iron-sulfur… · a predicted model of the same protein · chain B against A, TM-score 0.99
  • A5GZW8 · AlphaFold monomer V2.0 prediction for succinate dehydrogenase [ubiquinone] cytochrome B… · a predicted model of the same protein · chain D against A, TM-score 0.98
  • D0VWV4 · AlphaFold monomer V2.0 prediction for succinate dehydrogenase cytochrome B560 subunit… · a predicted model of the same protein · chain C against A, TM-score 0.93

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