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Caulobacter crescentus gcra sigma-interacting domain (sid) in complex with domain 2 of sigma 70

Analyse Caulobacter crescentus gcra sigma-interacting domain (sid) in complex with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5YIX
Type
protein
Length
372 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
RNA polymerase sigma factor rpod; Cell cycle regulatory protein gcra
UniProt
A0A0H3CAV3, A0A0H3C9J4
Ligands
ZN
Pockets
3 · best druggability 0.71

Structure

x-ray diffraction · 2 distinct chains · 71% helix, 3% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ARNA polymerase sigma factor rpodprotein32480% helix, 1% strandA0A0H3CAV3
BCell cycle regulatory protein gcraprotein4815% helix, 17% strandA0A0H3C9J4

Ligands and binding sites

  • ZN · Zinc ion · metal · chains B
  • BU3 · (R,R)-2,3-butanediol · additive · 2 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13470.710.8352empty
21190.540.8214empty
32150.510.7634empty

Interfaces

1 interface between chains.

  • A–B · 819 Ų buried · 12 hydrogen bonds · protein-protein

Compared structures

  • 5YIX · Caulobacter crescentus GcrA sigma-interacting domain (SID) in complex with domain 2 of… · the same entry in another collection · chain A against A, TM-score 1.00

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