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MolNFT v1 · #29166 · protein

Crystal structure of the rok family transcriptional regulator, homolog of E.COLI mlc protein.

1Z05 · Transcriptional regulator, rok family: “Crystal structure of the rok family transcriptional regulator, homolog of E.COLI mlc protein.”. X-ray diffraction, 2 ligands (ZN, SO4), 3 pockets (best druggability 0.65). MolNFT v1 #29166 on…

PDB
1Z05
Type
protein
Length
396 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Transcriptional regulator, rok family
UniProt
Q9KQJ1
Ligands
ZN, SO4
Pockets
3 · best druggability 0.65

Structure

x-ray diffraction · 1 distinct chain · 45% helix, 22% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ATranscriptional regulator, rok familyprotein39645% helix, 22% strandQ9KQJ1

Ligands and binding sites

  • ZN · Zinc ion · metal · chains A
  • SO4 · Sulfate ion · ion · 6 copies · chains A
  • BME · Beta-mercaptoethanol · additive · chains A
  • GOL · Glycerol · additive · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13480.650.8047SO4
21990.500.7618empty
3580.270.7318empty

Modifications

Observed in the structure: 1 covalent (additive adduct).

Compared structures

  • 1Z05 · Crystal structure of the ROK family transcriptional regulator, homolog of E.coli MLC… · the same entry in another collection · chain A against A, TM-score 1.00

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