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MolNFT v1 · #28290 · protein

Crystal structure of HTH_3 family transcriptional regulator from vibrio cholerae

1Y9Q · Transcriptional regulator, HTH_3 family: “Crystal structure of HTH_3 family transcriptional regulator from vibrio cholerae”. X-ray diffraction, 2 ligands (MED, ZN), 1 pocket (best druggability 0.73). MolNFT v1 #28290 on GenesisL1…

PDB
1Y9Q
Type
protein
Length
178 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Transcriptional regulator, HTH_3 family
UniProt
Q9KQN0
Ligands
MED, ZN
Pockets
1 · best druggability 0.73

Structure

x-ray diffraction · 1 distinct chain · 30% helix, 33% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ATranscriptional regulator, HTH_3 familyprotein17830% helix, 33% strandQ9KQN0

Ligands and binding sites

  • MED · D-methionine · ligand · chains A
  • ZN · Zinc ion · metal · chains A

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
1560.730.9918MED

Modifications

Observed in the structure: 5 modified (engineered).

Compared structures

  • 1Y9Q · Crystal Structure of HTH_3 family Transcriptional Regulator from Vibrio cholerae · the same entry in another collection · chain A against A, TM-score 1.00

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