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Ctsr C-terminal domain with bound phospho-arginine

Analyse Ctsr C-terminal domain with bound phospho-arginine in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6FH4
Type
protein
Length
304 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Transcriptional regulator ctsr
UniProt
A0A0C3K8Q6
Ligands
RPI, PO4
Pockets
1 · best druggability 0.52

Structure

x-ray diffraction · 3 distinct chains · 74% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BTranscriptional regulator ctsrprotein7575% helix, 0% strandA0A0C3K8Q6
CTranscriptional regulator ctsrprotein7873% helix, 0% strandA0A0C3K8Q6
DTranscriptional regulator ctsrprotein7674% helix, 0% strandA0A0C3K8Q6

Ligands and binding sites

  • RPI · phospho-arginine · ligand · 3 copies · chains A, B, C
  • PO4 · Phosphate ion · ion · chains D

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12290.520.7625empty

Interfaces

3 interfaces between chains.

  • C–D · 1018 Ų buried · 13 hydrogen bonds · protein-protein
  • A–B · 969 Ų buried · 15 hydrogen bonds · protein-protein
  • B–C · 456 Ų buried · 10 hydrogen bonds · protein-protein

Compared structures

  • 6FH4 · CtsR C-terminal domain with bound phospho-arginine · the same entry in another collection · chain D against D, TM-score 1.00

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