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MolNFT v1 · #61417 · protein

Crystal structure of dnr from pseudomonas aeruginosa.

3DKW · Dnr protein: “Crystal structure of dnr from pseudomonas aeruginosa.”. X-ray diffraction, 20 pockets (best druggability 0.86). MolNFT v1 #61417 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
3DKW
Type
protein
Length
2,270 residues
Chains
10
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Dnr protein
UniProt
Q51441
Pockets
20 · best druggability 0.86

Structure

x-ray diffraction · 1 distinct chain · 37% helix, 18% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, C, D, E, F, G, H, I, JDnr proteinprotein22737% helix, 18% strandQ51441

Pockets

20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
110420.860.87123empty
211580.840.85136empty
312000.810.82101empty
48020.810.8467empty
55710.790.8547empty

Interfaces

24 interfaces between chains.

  • C–D · 2269 Ų buried · 26 hydrogen bonds · protein-protein
  • E–F · 2243 Ų buried · 23 hydrogen bonds · protein-protein
  • A–B · 2106 Ų buried · 20 hydrogen bonds · protein-protein
  • I–J · 2076 Ų buried · 16 hydrogen bonds · protein-protein
  • G–H · 1971 Ų buried · 13 hydrogen bonds · protein-protein

Compared structures

  • 3DKW · Crystal Structure of DNR from Pseudomonas aeruginosa. · the same entry in another collection · chain A against A, TM-score 1.00

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