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MolNFT v1 · #17173 · protein

Three-dimensional structure of S.AUREUS methicillin-resistance regulating transcriptional repressor meci.

1OKR · Methicillin resistance regulatory protein meci: “Three-dimensional structure of S.AUREUS methicillin-resistance regulating transcriptional repressor meci.”. X-ray diffraction, 1 ligand (CL), 3 pockets (best druggability 0.44).…

PDB
1OKR
Type
protein
Length
242 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Methicillin resistance regulatory protein meci
UniProt
P26598
Ligands
CL
Pockets
3 · best druggability 0.44

Structure

x-ray diffraction · 2 distinct chains · 63% helix, 11% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AMethicillin resistance regulatory protein meciprotein12063% helix, 12% strandP26598
BMethicillin resistance regulatory protein meciprotein12263% helix, 11% strandP26598

Ligands and binding sites

  • CL · Chloride ion · ion · chains A
  • GOL · Glycerol · additive · 2 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11490.440.7628empty
2610.310.7514empty
3660.300.7411empty

Interfaces

1 interface between chains.

  • A–B · 1966 Ų buried · 24 hydrogen bonds · protein-protein

Compared structures

  • 1OKR · Three-dimensional structure of S.aureus methicillin-resistance regulating transcriptional… · the same entry in another collection · chain A against A, TM-score 1.00

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