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MolNFT v1 · #188040 · protein

Structure of the peroxisomal retro-translocon formed by a heterotrimeric ubiquitin ligase complex

7T92 · Peroxin-12: “Structure of the peroxisomal retro-translocon formed by a heterotrimeric ubiquitin ligase complex”. Electron microscopy, 3 ligands (LBN, CLR, ZN), 14 pockets (best druggability 0.76). MolNFT v1 #188040 on GenesisL1: 3D…

PDB
7T92
Type
protein
Length
1,159 residues
Chains
5
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Peroxin-12; Peroxin-2; Peroxin-10; Fab heavy chain; Fab light chain
UniProt
G2Q5N0, G2Q1C9, G2Q0E2
Ligands
LBN, CLR, ZN
Pockets
14 · best druggability 0.76

Structure

electron microscopy · 5 distinct chains · 46% helix, 14% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
BPeroxin-12protein36055% helix, 8% strandG2Q5N0
APeroxin-2protein29856% helix, 8% strandG2Q1C9
CPeroxin-10protein31750% helix, 8% strandG2Q0E2
HFab heavy chainprotein883% helix, 50% strand—
LFab light chainprotein963% helix, 46% strand—

Ligands and binding sites

  • LBN · 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine · ligand · 15 copies · chains B, A, C
  • CLR · Cholesterol · ligand · 5 copies · chains A, C
  • ZN · Zinc ion · metal · 5 copies · chains B, A, C

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
17220.760.8156empty
29180.750.7981LBN
34930.700.8044empty
45300.670.7850empty
57360.670.7573empty

Interfaces

6 interfaces between chains.

  • B–A · 2881 Ų buried · 21 hydrogen bonds · protein-protein
  • A–C · 2725 Ų buried · 25 hydrogen bonds · protein-protein
  • B–C · 1605 Ų buried · 12 hydrogen bonds · protein-protein
  • H–L · 977 Ų buried · 8 hydrogen bonds · protein-protein
  • B–H · 746 Ų buried · 11 hydrogen bonds · protein-protein

Compared structures

  • 7T92 · Structure of the peroxisomal retro-translocon formed by a heterotrimeric ubiquitin ligase… · the same entry in another collection · chain B against B, TM-score 1.00

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