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MolNFT v1 · #104239 · protein

TM287/288 in its apo state

4Q4H · ABC transporter: “TM287/288 in its apo state”. X-ray diffraction, 15 pockets (best druggability 0.82). MolNFT v1 #104239 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
4Q4H
Type
protein
Length
1,155 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
ABC transporter; Uncharacterized ABC transporter ATP-binding protein TM_0288
UniProt
Q9WYC3, Q9WYC4
Pockets
15 · best druggability 0.82

Structure

x-ray diffraction · 2 distinct chains · 63% helix, 10% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AABC transporterprotein57263% helix, 11% strandQ9WYC3
BUncharacterized ABC transporter ATP-binding protein TM_0288protein58362% helix, 9% strandQ9WYC4

Pockets

15 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
19920.820.8386empty
26320.770.8391empty
31870.690.8626empty
41670.540.7922empty
52670.540.7629empty

Interfaces

1 interface between chains.

  • A–B · 6602 Ų buried · 43 hydrogen bonds · protein-protein

Compared structures

  • 4Q4H · TM287/288 in its apo state · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9WYC4 · AlphaFold monomer V2.0 prediction for uncharacterized ABC transporter ATP-binding protein… · a predicted model of the same protein · chain B against A, TM-score 0.94

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