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MolNFT v1 · #103112 · protein

Crystal structure of the computationally designed transmembrane metallotransporter with 4-bromophenylalanine in octyl glucoside

4P6J · Computationally designed transporter of ZN(II) and proton: “Crystal structure of the computationally designed transmembrane metallotransporter with 4-bromophenylalanine…”. X-ray diffraction, 2 ligands (NH2, SO4). MolNFT v1 #103112…

PDB
4P6J
Type
protein
Length
50 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Computationally designed transporter of ZN(II) and proton
Ligands
NH2, SO4

Structure

x-ray diffraction · 1 distinct chain · 92% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BComputationally designed transporter of ZN(II) and protonprotein2592% helix, 0% strand—

Ligands and binding sites

  • NH2 · Amino group · ion · 2 copies · chains A, B
  • SO4 · Sulfate ion · ion · chains B

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

Interfaces

1 interface between chains.

  • A–B · 599 Ų buried · 3 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 modified (nonstandard).

Compared structures

  • 4P6J · Crystal Structure of the Computationally Designed Transmembrane Metallotransporter with… · the same entry in another collection · chain A against A, TM-score 1.00

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