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MolNFT v1 · #10904 · protein

Crystal structure of transcriptional regulator (TM1602) from thermotoga maritima at 2.3 a resolution

1J5Y · Transcriptional regulator, biotin repressor family: “Crystal structure of transcriptional regulator (TM1602) from thermotoga maritima at 2.3 a resolution”. X-ray diffraction, 2 ligands (NI, K), 2 pockets (best druggability 0.48).…

PDB
1J5Y
Type
protein
Length
172 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Transcriptional regulator, biotin repressor family
UniProt
Q9X1T8
Ligands
NI, K
Pockets
2 · best druggability 0.48

Structure

x-ray diffraction · 1 distinct chain · 48% helix, 24% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ATranscriptional regulator, biotin repressor familyprotein17248% helix, 24% strandQ9X1T8

Ligands and binding sites

  • NI · Nickel (II) ion · metal · chains A
  • K · Potassium ion · metal · chains A

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

Pockets

2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11240.480.7919empty
2630.330.7612empty

Modifications

Observed in the structure: 5 modified (engineered).

Compared structures

  • 1J5Y · Crystal structure of transcriptional regulator (TM1602) from Thermotoga maritima at 2.3 A… · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9X1T8 · AlphaFold monomer V2.0 prediction for probable transcription repressor niar (Q9X1T8) · a predicted model of the same protein · chain A against A, TM-score 0.77

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