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MolNFT v1 · #158857 · protein + DNA

Structure of the regulator fasr from mycobacterium tuberculosis in complex with DNA

6O6P · Tetr family transcriptional regulator: “Structure of the regulator fasr from mycobacterium tuberculosis in complex with DNA”. X-ray diffraction, 7 pockets (best druggability 0.81). MolNFT v1 #158857 on GenesisL1: 3D structure…

PDB
6O6P
Type
protein + DNA
Length
421 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Tetr family transcriptional regulator; DNA-forward; DNA-reverse
UniProt
O05858
Pockets
7 · best druggability 0.81

Structure

x-ray diffraction · 4 distinct chains · 78% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ATetr family transcriptional regulatorprotein18878% helix, 0% strandO05858
BTetr family transcriptional regulatorprotein18778% helix, 0% strandO05858
CDNA-forwarddna23——
DDNA-reversedna23——

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
17920.810.8473empty
21490.760.9326empty
3970.710.9323empty
45660.620.7427empty
5570.470.8515empty

Interfaces

6 interfaces between chains.

  • A–B · 1883 Ų buried · 10 hydrogen bonds · protein-protein
  • C–D · 1122 Ų buried · 105 hydrogen bonds · nucleic-nucleic
  • B–D · 322 Ų buried · 9 hydrogen bonds · protein-nucleic
  • A–C · 298 Ų buried · 3 hydrogen bonds · protein-nucleic
  • A–D · 199 Ų buried · 1 hydrogen bond · protein-nucleic

Compared structures

  • 6O6P · Structure of the regulator FasR from Mycobacterium tuberculosis in complex with DNA · the same entry in another collection · chain A against A, TM-score 1.00

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