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MolNFT v1 · #76722 · protein

Crystal structure of a dinb-like protein (CPS_3021) from colwellia psychrerythraea 34H at 2.20 a resolution

3QTH · Uncharacterized protein: “Crystal structure of a dinb-like protein (CPS_3021) from colwellia psychrerythraea 34H at 2.20 a resolution”. X-ray diffraction, 1 ligand (CL), 2 pockets (best druggability 0.52). MolNFT v1 #76722 on…

PDB
3QTH
Type
protein
Length
336 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Uncharacterized protein
UniProt
Q47ZP9
Ligands
CL
Pockets
2 · best druggability 0.52

Structure

x-ray diffraction · 2 distinct chains · 62% helix, 8% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AUncharacterized proteinprotein17262% helix, 8% strandQ47ZP9
BUncharacterized proteinprotein16462% helix, 9% strandQ47ZP9

Ligands and binding sites

  • CL · Chloride ion · ion · 2 copies · chains A, B
  • GOL · Glycerol · additive · 4 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11730.520.7824CL, GOL
21120.410.7620GOL, CL

Interfaces

1 interface between chains.

  • A–B · 1898 Ų buried · 20 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 10 modified (engineered).

Compared structures

  • 3QTH · Crystal structure of a DinB-like protein (CPS_3021) from Colwellia psychrerythraea 34H at… · the same entry in another collection · chain A against A, TM-score 1.00

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