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MolNFT v1 · #176938 · protein

Monomer of trappii (closed)

7E2D · Trapp-associated protein TCA17: “Monomer of trappii (closed)”. Electron microscopy, 20 pockets (best druggability 0.83). MolNFT v1 #176938 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
7E2D
Type
protein
Length
3,291 residues
Chains
11
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Trapp-associated protein TCA17; Trafficking protein particle complex subunit BET3…
UniProt
P32613, P36149, Q99394, Q03630, Q03784, Q03337, P38334, Q03660, Q04183, P32893
Pockets
20 · best druggability 0.83

Structure

electron microscopy · 11 distinct chains · 32% helix, 16% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ATrapp-associated protein TCA17protein14431% helix, 19% strandP32613
CTrafficking protein particle complex subunit BET3protein18441% helix, 13% strandP36149
BTrafficking protein particle complex subunit 33protein20250% helix, 12% strandQ99394
DTrafficking protein particle complex subunit BET5protein15128% helix, 17% strandQ03630
ETrafficking protein particle complex subunit 23protein16631% helix, 15% strandQ03784
FTrafficking protein particle complex subunit BET3protein18244% helix, 16% strandP36149
GTrafficking protein particle complex subunit 31protein20442% helix, 13% strandQ03337
HTrafficking protein particle complex subunit 20protein14735% helix, 21% strandP38334
ITrafficking protein particle complex II-specific subunit 130protein78829% helix, 15% strandQ03660
JTrafficking protein particle complex II-specific subunit 120protein87229% helix, 13% strandQ04183
KTrafficking protein particle complex II-specific subunit 65protein25111% helix, 38% strandP32893

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
110310.830.84130empty
21960.820.9532empty
32140.790.9343empty
45970.780.8482empty
57870.770.8296empty

Interfaces

17 interfaces between chains.

  • G–H · 2399 Ų buried · 38 hydrogen bonds · protein-protein
  • C–B · 2084 Ų buried · 14 hydrogen bonds · protein-protein
  • F–G · 1659 Ų buried · 15 hydrogen bonds · protein-protein
  • J–K · 1416 Ų buried · 11 hydrogen bonds · protein-protein
  • D–E · 1347 Ų buried · 18 hydrogen bonds · protein-protein

Compared structures

  • 7E2D · Monomer of TRAPPII (Closed) · the same entry in another collection · chain K against K, TM-score 1.00
  • 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 0.95

Analyse

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