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MolNFT v1 · #105649 · protein

Crystal structure of magnetospirillum gryphiswaldense msr-1 semet-apo- fur

4RB0 · DNA-binding transcriptional dual regulator of siderophore…: “Crystal structure of magnetospirillum gryphiswaldense msr-1 semet-apo- fur”. X-ray diffraction, 1 ligand (SO4), 2 pockets (best druggability 0.40). MolNFT v1 #105649 on…

PDB
4RB0
Type
protein
Length
268 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
DNA-binding transcriptional dual regulator of siderophore biosynthesis and TRANSPORT(FUR…
UniProt
V6F4Q0
Ligands
SO4
Pockets
2 · best druggability 0.40

Structure

x-ray diffraction · 2 distinct chains · 43% helix, 24% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ADNA-binding transcriptional dual regulator of siderophore biosynthesis and TRANSPORT(FUR family)protein13543% helix, 24% strandV6F4Q0
BDNA-binding transcriptional dual regulator of siderophore biosynthesis and TRANSPORT(FUR family)protein13343% helix, 23% strandV6F4Q0

Ligands and binding sites

  • SO4 · Sulfate ion · ion · 4 copies · chains A, B
  • FLC · Citrate anion · additive · chains A

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

Pockets

2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11530.400.7327SO4
2580.340.7815empty

Interfaces

1 interface between chains.

  • A–B · 1615 Ų buried · 26 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 5 modified (engineered).

Compared structures

  • 4RB0 · Crystal structure of Magnetospirillum gryphiswaldense MSR-1 SeMet-Apo-Fur · the same entry in another collection · chain B against B, TM-score 1.00

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