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MolNFT v1 · #58511 · protein

Emre multidrug transporter in complex with P4P, P21 crystal form

3B62 · Multidrug transporter emre: “Emre multidrug transporter in complex with P4P, P21 crystal form”. X-ray diffraction, 1 ligand (P4P). MolNFT v1 #58511 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
3B62
Type
protein
Length
364 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Multidrug transporter emre
UniProt
P23895
Ligands
P4P

Structure

x-ray diffraction · 2 distinct chains · 0% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, CMultidrug transporter emreprotein950% helix, 0% strandP23895
B, DMultidrug transporter emreprotein870% helix, 0% strandP23895

Ligands and binding sites

  • P4P · Tetraphenylphosphonium · ligand · 2 copies · chains A, B, C, D

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

Interfaces

2 interfaces between chains.

  • C–D · 111 Ų buried · 0 hydrogen bonds · protein-protein
  • A–B · 93 Ų buried · 0 hydrogen bonds · protein-protein

Compared structures

  • 3B62 · EmrE multidrug transporter in complex with P4P, P21 crystal form · the same entry in another collection · chain D against D, TM-score 1.00
  • P23895 · AlphaFold monomer V2.0 prediction for multidrug transporter emre (P23895) · a predicted model of the same protein · chain C against A, TM-score 0.75
  • 2I68 · Cryo-EM based theoretical model structure of transmembrane domain of the… · a predicted model of the same protein · chain C against A, TM-score 0.58
  • 2I68 · Cryo-EM based theoretical model structure of transmembrane domain of the… · a predicted model of the same protein · chain C against A, TM-score 0.58

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