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Structure and copper-binding properties of methanobactins from methylosinus trichosporium OB3B

Analyse Structure and copper-binding properties of methanobactins from methylosinus… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2XJH
Type
protein
Length
18 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Methanobactin mb-OB3B
EC
1.11.1.-, 1.15.1.1
UniProt
E3YBA4
Ligands
COI, BB9, NA, CU

Structure

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

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BMethanobactin mb-OB3B (EC 1.11.1.-, 1.15.1.1)protein90% helix, 0% strandE3YBA4

Ligands and binding sites

  • COI · 2-oxo-4-methylpentanoic acid · ligand · 2 copies · chains A, B
  • BB9 · (2Z)-2-amino-3-sulfanylprop-2-enoic acid · ligand · 2 copies · chains A, B
  • NA · Sodium ion · metal · 3 copies · chains A, B
  • CU · Copper (II) ion · metal · 2 copies · chains A, B

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

Interfaces

1 interface between chains.

  • A–B · 108 Ų buried · 2 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 covalent, 2 disulfide, 2 modified (covalent ligand, disulfide, nonstandard).

Compared structures

  • 2XJH · Structure and Copper-binding Properties of Methanobactins from Methylosinus trichosporium… · the same entry in another collection · chain A against A, TM-score 1.00
  • E3YBA4 · AlphaFold monomer V2.0 prediction for methanobactin mb-OB3B (E3YBA4) · a predicted model of the same protein · chain A against A, TM-score 0.40

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