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E. COLI reco complex with ssb C-terminus

Analyse E. COLI reco complex with ssb C-terminus in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3Q8D
Type
protein
Length
469 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
DNA repair protein reco; Single-stranded DNA-binding protein
UniProt
D5CXR1, D5D6S3
Ligands
MLT, CPS
Pockets
2 · best druggability 0.65

Structure

x-ray diffraction · 3 distinct chains · 37% helix, 23% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ADNA repair protein recoprotein23136% helix, 23% strandD5CXR1
BDNA repair protein recoprotein23238% helix, 23% strandD5CXR1
E, FSingle-stranded DNA-binding proteinprotein30% helix, 0% strandD5D6S3

Ligands and binding sites

  • MLT · D-malate · ligand · chains A, B
  • CPS · 3-[(3-cholamidopropyl)dimethylammonio]-1-propanesulfonate · ligand · chains B
  • GOL · Glycerol · additive · chains A

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
12680.650.8240MLT
2510.320.7814empty

Interfaces

3 interfaces between chains.

  • A–B · 881 Ų buried · 13 hydrogen bonds · protein-protein
  • B–F · 302 Ų buried · 5 hydrogen bonds · protein-protein
  • A–E · 289 Ų buried · 6 hydrogen bonds · protein-protein

Compared structures

  • 3Q8D · E. coli RecO complex with SSB C-terminus · the same entry in another collection · chain A against A, TM-score 1.00

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