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MolNFT v1 · #40287 · protein

X-ray crystal structure of protein PFL_3262 from pseudomonas fluorescens. northeast structural genomics consortium target PLR14.

2IMJ · Hypothetical protein DUF1348: “X-ray crystal structure of protein PFL_3262 from pseudomonas fluorescens. northeast structural genomics…”. X-ray diffraction, 13 pockets (best druggability 0.83). MolNFT v1 #40287 on GenesisL1: 3D…

PDB
2IMJ
Type
protein
Length
622 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Hypothetical protein DUF1348
UniProt
Q4KBL6
Pockets
13 · best druggability 0.83

Structure

x-ray diffraction · 4 distinct chains · 25% helix, 39% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AHypothetical protein DUF1348protein15826% helix, 39% strandQ4KBL6
BHypothetical protein DUF1348protein15626% helix, 39% strandQ4KBL6
CHypothetical protein DUF1348protein15526% helix, 39% strandQ4KBL6
DHypothetical protein DUF1348protein15324% helix, 40% strandQ4KBL6

Ligands and binding sites

  • ACT · Acetate ion · additive · 6 copies · chains A, B, D, C
  • EDO · 1,2-ethanediol · additive · 2 copies · chains A, C, B

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

Pockets

13 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
17580.830.8669EDO
2630.580.9016empty
3800.570.8717empty
4910.560.8517empty
5810.560.8616empty

Interfaces

5 interfaces between chains.

  • A–B · 1487 Ų buried · 23 hydrogen bonds · protein-protein
  • C–D · 1266 Ų buried · 23 hydrogen bonds · protein-protein
  • A–C · 576 Ų buried · 9 hydrogen bonds · protein-protein
  • A–D · 321 Ų buried · 4 hydrogen bonds · protein-protein
  • B–C · 311 Ų buried · 4 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 8 modified (engineered).

Compared structures

  • 2IMJ · X-ray Crystal Structure of Protein PFL_3262 from Pseudomonas fluorescens. Northeast… · the same entry in another collection · chain A against A, TM-score 1.00

Analyse

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