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Crystal structure of transcriptional regulator SCO5951 from streptomyces coelicolor A3(2)

Analyse Crystal structure of transcriptional regulator SCO5951 from streptomyces… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2ID3
Type
protein
Length
381 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Putative transcriptional regulator
UniProt
O54180
Ligands
CA, CL
Pockets
5 · best druggability 0.75

Structure

x-ray diffraction · 2 distinct chains · 78% helix, 1% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APutative transcriptional regulatorprotein19179% helix, 1% strandO54180
BPutative transcriptional regulatorprotein19078% helix, 1% strandO54180

Ligands and binding sites

  • CA · Calcium ion · metal · 8 copies · chains A, B
  • CL · Chloride ion · ion · 3 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12140.750.9046empty
22120.540.7829CL
31590.510.7826CL
41360.420.7527empty
5960.350.7525empty

Interfaces

1 interface between chains.

  • A–B · 1475 Ų buried · 3 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 modified (engineered).

Compared structures

  • 2ID3 · Crystal structure of transcriptional regulator SCO5951 from Streptomyces coelicolor A3(2) · the same entry in another collection · chain A against A, TM-score 1.00

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