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Crystal structure of the bacillus subtilis smc head domain complexed with the cognate scpa C-terminal domain

Analyse Crystal structure of the bacillus subtilis smc head domain complexed with the… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5H66
Type
protein
Length
435 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Chromosome partition protein smc; Segregation and condensation protein a
UniProt
P51834, P35154
Pockets
1 · best druggability 0.51

Structure

x-ray diffraction · 3 distinct chains · 44% helix, 23% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AChromosome partition protein smcprotein18737% helix, 26% strandP51834
BChromosome partition protein smcprotein18150% helix, 23% strandP51834
CSegregation and condensation protein aprotein6748% helix, 18% strandP35154

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11690.510.7827empty

Interfaces

3 interfaces between chains.

  • A–B · 3506 Ų buried · 50 hydrogen bonds · protein-protein
  • B–C · 1006 Ų buried · 9 hydrogen bonds · protein-protein
  • A–C · 267 Ų buried · 3 hydrogen bonds · protein-protein

Compared structures

  • 5H66 · Crystal structure of the Bacillus subtilis SMC head domain complexed with the cognate… · the same entry in another collection · chain B against B, TM-score 1.00
  • P51834 · AlphaFold monomer V2.0 prediction for chromosome partition protein smc (P51834) · a predicted model of the same protein · chain B against A, TM-score 0.93
  • P35154 · AlphaFold monomer V2.0 prediction for segregation and condensation protein a (P35154) · a predicted model of the same protein · chain C against A, TM-score 0.81

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