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MolNFT v1 · #180019 · protein

Structure of the yeast trappiii-YPT1(RAB1) complex

7KMT · Trafficking protein particle complex subunit 23: “Structure of the yeast trappiii-YPT1(RAB1) complex”. Electron microscopy, 1 ligand (PLM), 20 pockets (best druggability 0.83). MolNFT v1 #180019 on GenesisL1: 3D structure, binding…

PDB
7KMT
Type
protein
Length
1,838 residues
Chains
9
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Trafficking protein particle complex subunit 23; Trafficking protein particle complex…
UniProt
Q03784, Q03337, Q03630, P36149, Q99394, P38334, P01123, P46944
Ligands
PLM
Pockets
20 · best druggability 0.83

Structure

electron microscopy · 8 distinct chains · 46% helix, 15% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
HTrafficking protein particle complex subunit 23protein16932% helix, 21% strandQ03784
JTrafficking protein particle complex subunit 31protein19147% helix, 14% strandQ03337
GTrafficking protein particle complex subunit BET5protein15636% helix, 20% strandQ03630
I, FTrafficking protein particle complex subunit BET3protein18252% helix, 15% strandP36149
ETrafficking protein particle complex subunit 33protein17845% helix, 11% strandQ99394
KTrafficking protein particle complex subunit 20protein13140% helix, 18% strandP38334
AGTP-binding protein YPT1protein17432% helix, 27% strandP01123
BTrafficking protein particle complex III-specific subunit 85protein47558% helix, 8% strandP46944

Ligands and binding sites

  • PLM · Palmitic acid · ligand · 2 copies · chains H, I, F, E

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

Pockets

20 pockets found on a 1 Å grid, 11 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12090.830.9634PLM
22060.830.9534PLM
39320.740.7878empty
41180.740.9321empty
51340.660.8826empty

Interfaces

16 interfaces between chains.

  • F–E · 2061 Ų buried · 22 hydrogen bonds · protein-protein
  • J–I · 1784 Ų buried · 18 hydrogen bonds · protein-protein
  • J–K · 1777 Ų buried · 33 hydrogen bonds · protein-protein
  • H–G · 1565 Ų buried · 21 hydrogen bonds · protein-protein
  • H–I · 1313 Ų buried · 13 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 lipid (palmitoylation).

Compared structures

  • 7KMT · Structure of the yeast TRAPPIII-Ypt1(Rab1) complex · the same entry in another collection · chain B against B, TM-score 1.00
  • P46944 · AlphaFold monomer V2.0 prediction for trafficking protein particle complex III-specific… · a predicted model of the same protein · chain B against A, TM-score 0.98
  • P36149 · AlphaFold monomer V2.0 prediction for trafficking protein particle complex subunit BET3… · a predicted model of the same protein · chain F against A, TM-score 0.97

Analyse

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