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Methanobactin biosynthetic protein complex of mbnb and mbnc from methylosinus trichosporium OB3B at 2.31 ångström resolution

Analyse Methanobactin biosynthetic protein complex of mbnb and mbnc from methylosinus… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7TCU
Type
protein
Length
915 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Methanobactin biosynthesis cassette protein mbnb; Methanobactin biosynthesis cassette…
UniProt
A0A2D2D5M1, A0A2D2CY73
Ligands
FE, SO4
Pockets
10 · best druggability 0.80

Structure

x-ray diffraction · 3 distinct chains · 43% helix, 16% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BMethanobactin biosynthesis cassette protein mbnbprotein26345% helix, 22% strandA0A2D2D5M1
CMethanobactin biosynthesis cassette protein mbncprotein19542% helix, 12% strandA0A2D2CY73
DMethanobactin biosynthesis cassette protein mbncprotein19443% helix, 12% strandA0A2D2CY73

Ligands and binding sites

  • FE · Fe (III) ion · metal · 6 copies · chains A, B
  • SO4 · Sulfate ion · ion · 2 copies · chains A, B

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

Pockets

10 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
111000.800.82103empty
211020.750.7880FE
38760.750.7960FE
41010.490.8123empty
51610.460.7622empty

Interfaces

3 interfaces between chains.

  • B–C · 2250 Ų buried · 22 hydrogen bonds · protein-protein
  • A–D · 2166 Ų buried · 22 hydrogen bonds · protein-protein
  • A–B · 503 Ų buried · 0 hydrogen bonds · protein-protein

Compared structures

  • 7TCU · Methanobactin biosynthetic protein complex of MbnB and MbnC from Methylosinus… · the same entry in another collection · chain A against A, TM-score 1.00

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