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MolNFT v1 · #177507 · protein

Mitochondrial outer membrane protein

7EKL · ATP-binding cassette sub-family B member 6: “Mitochondrial outer membrane protein”. Electron microscopy, 2 ligands (ATP, MG), 19 pockets (best druggability 0.86). MolNFT v1 #177507 on GenesisL1: 3D structure, binding sites and…

PDB
7EKL
Type
protein
Length
1,180 residues
Chains
2
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
ATP-binding cassette sub-family B member 6
EC
7.6.2.5
UniProt
Q9NP58
Ligands
ATP, MG
Pockets
19 · best druggability 0.86

Structure

electron microscopy · 1 distinct chain · 50% helix, 9% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BATP-binding cassette sub-family B member 6 (EC 7.6.2.5)protein59050% helix, 9% strandQ9NP58

Ligands and binding sites

  • ATP · Adenosine-5'-triphosphate · ligand · 2 copies · chains A, B
  • MG · Magnesium ion · metal · 2 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15910.860.9154empty
211510.860.87118ATP
31500.800.9626empty
43490.800.9037empty
51490.790.9633empty

Interfaces

1 interface between chains.

  • A–B · 8285 Ų buried · 80 hydrogen bonds · protein-protein

Compared structures

  • 7EKL · Mitochondrial outer membrane protein · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9NP58 · AlphaFold monomer V2.0 prediction for ATP-binding cassette sub-family B member 6… · a predicted model of the same protein · chain B against A, TM-score 0.89

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