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MolNFT v1 · #46466 · protein

Crystal structure of Q9KD89 from bacillus halodurans. northeast structural genomics target BHR21

2O5A · BH1328 protein: “Crystal structure of Q9KD89 from bacillus halodurans. northeast structural genomics target BHR21”. X-ray diffraction, 2 ligands (MN, SO4), 1 pocket (best druggability 0.63). MolNFT v1 #46466 on GenesisL1: 3D…

PDB
2O5A
Type
protein
Length
213 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
BH1328 protein
UniProt
Q9KD89
Ligands
MN, SO4
Pockets
1 · best druggability 0.63

Structure

x-ray diffraction · 2 distinct chains · 30% helix, 30% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ABH1328 proteinprotein10831% helix, 30% strandQ9KD89
BBH1328 proteinprotein10529% helix, 30% strandQ9KD89

Ligands and binding sites

  • MN · Manganese (II) ion · metal · 4 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.

Pockets

1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12470.630.8138empty

Interfaces

1 interface between chains.

  • A–B · 901 Ų buried · 13 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 modified (engineered).

Compared structures

  • 2O5A · Crystal structure of Q9KD89 from Bacillus halodurans. Northeast Structural Genomics… · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9KD89 · AlphaFold monomer V2.0 prediction for ribosomal silencing factor rsfs (Q9KD89) · a predicted model of the same protein · chain B against A, TM-score 0.95

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