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MolNFT v1 · #21211 · protein

X-ray crystal structure of desulfovibrio vulgaris rubrerythrin with displacement of iron by zinc at the diiron site

1S2Z: “X-ray crystal structure of desulfovibrio vulgaris rubrerythrin with displacement of iron by zinc at the…”. X-ray diffraction, 2 ligands (FE, ZN), 2 pockets (best druggability 0.45). MolNFT v1 #21211 on GenesisL1: 3D structure…

PDB
1S2Z
Type
protein
Length
190 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Rubrerythrin
UniProt
P24931
Ligands
FE, ZN
Pockets
2 · best druggability 0.45

Structure

x-ray diffraction · 1 distinct chain · 59% helix, 11% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ARubrerythrinprotein19059% helix, 11% strandP24931

Ligands and binding sites

  • FE · Fe (III) ion · metal · 2 copies · chains A
  • ZN · Zinc ion · metal · 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
11090.450.7921empty
2710.390.7921empty

Compared structures

  • 1S2Z · X-ray crystal structure of Desulfovibrio vulgaris Rubrerythrin with displacement of iron… · the same entry in another collection · chain A against A, TM-score 1.00
  • P24931 · AlphaFold monomer V2.0 prediction for rubrerythrin (P24931) · a predicted model of the same protein · chain A against A, TM-score 0.99

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