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MolNFT v1 · #159726 · protein

Crystal structure of the phycocyanobilin-bound gaf domain from a cyanobacterial phytochrome

6OZA · Two-component sensor histidine kinase: “Crystal structure of the phycocyanobilin-bound gaf domain from a cyanobacterial phytochrome”. X-ray diffraction, 1 ligand (CYC), 4 pockets (best druggability 0.79). MolNFT v1 #159726 on…

PDB
6OZA
Type
protein
Length
549 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Two-component sensor histidine kinase
UniProt
Q8YTL8
Ligands
CYC
Pockets
4 · best druggability 0.79

Structure

x-ray diffraction · 1 distinct chain · 40% helix, 27% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, CTwo-component sensor histidine kinaseprotein18340% helix, 27% strandQ8YTL8

Ligands and binding sites

  • CYC · Phycocyanobilin · ligand · 3 copies · chains A, B, C

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16080.790.8456CYC
26000.780.8355CYC
36120.770.8352CYC
4500.290.7615empty

Interfaces

3 interfaces between chains.

  • B–C · 379 Ų buried · 0 hydrogen bonds · protein-protein
  • A–B · 369 Ų buried · 0 hydrogen bonds · protein-protein
  • A–C · 357 Ų buried · 0 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 3 cofactor (phycocyanobilin attachment).

Compared structures

  • 6OZA · Crystal structure of the phycocyanobilin-bound GAF domain from a cyanobacterial… · the same entry in another collection · chain A against A, TM-score 1.00

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