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Crystal structure of putative DNA binding protein from methanocaldococcus jannaschii.

Analyse Crystal structure of putative DNA binding protein from methanocaldococcus… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3LHK
Type
protein
Length
581 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Putative DNA binding protein MJ0014
UniProt
Q60329
Pockets
3 · best druggability 0.65

Structure

x-ray diffraction · 3 distinct chains · 54% helix, 16% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APutative DNA binding protein MJ0014protein14654% helix, 16% strandQ60329
B, DPutative DNA binding protein MJ0014protein14554% helix, 15% strandQ60329
CPutative DNA binding protein MJ0014protein14554% helix, 17% strandQ60329

Pockets

3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14240.650.7859empty
24170.640.7851empty
32530.540.7636empty

Interfaces

5 interfaces between chains.

  • A–B · 1781 Ų buried · 15 hydrogen bonds · protein-protein
  • C–D · 1768 Ų buried · 11 hydrogen bonds · protein-protein
  • B–D · 299 Ų buried · 7 hydrogen bonds · protein-protein
  • A–C · 286 Ų buried · 6 hydrogen bonds · protein-protein
  • A–D · 282 Ų buried · 4 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 12 modified (engineered).

Compared structures

  • 3LHK · Crystal structure of putative DNA binding protein from Methanocaldococcus jannaschii. · the same entry in another collection · chain A against A, TM-score 1.00
  • Q60329 · AlphaFold monomer V2.0 prediction for uncharacterized protein MJ0014 (Q60329) · a predicted model of the same protein · chain B against A, TM-score 0.98

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