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Crystal structure of the RPA0582- protein of unknown function from rhodopseudomonas palustris- a structural genomics target

Analyse Crystal structure of the RPA0582- protein of unknown function from… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3DCA
Type
protein
Length
520 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
RPA0582
UniProt
Q6NC90
Ligands
SO4
Pockets
6 · best druggability 0.65

Structure

x-ray diffraction · 1 distinct chain · 38% helix, 32% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, C, DRPA0582protein13038% helix, 32% strandQ6NC90

Ligands and binding sites

  • SO4 · Sulfate ion · ion · 6 copies · chains A, B, C, D

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

Pockets

6 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12620.650.8236SO4
22410.630.8134SO4
32680.630.8032SO4
42540.610.7932SO4
51250.400.7520empty

Interfaces

3 interfaces between chains.

  • A–B · 1979 Ų buried · 31 hydrogen bonds · protein-protein
  • C–D · 1973 Ų buried · 31 hydrogen bonds · protein-protein
  • B–C · 369 Ų buried · 4 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 12 modified (engineered).

Compared structures

  • 3DCA · Crystal structure of the RPA0582- protein of unknown function from Rhodopseudomonas… · the same entry in another collection · chain A against A, TM-score 1.00

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