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MolNFT v1 · #70970 · protein

Ru-porphyrin protein scaffolds for sensing O2

3M0B · Methyl-accepting chemotaxis protein: “Ru-porphyrin protein scaffolds for sensing O2”. X-ray diffraction, 2 ligands (RUR, CMO), 2 pockets (best druggability 0.83). MolNFT v1 #70970 on GenesisL1: 3D structure, binding sites and…

PDB
3M0B
Type
protein
Length
185 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Methyl-accepting chemotaxis protein
UniProt
Q8RBX6
Ligands
RUR, CMO
Pockets
2 · best druggability 0.83

Structure

x-ray diffraction · 1 distinct chain · 51% helix, 20% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AMethyl-accepting chemotaxis proteinprotein18551% helix, 20% strandQ8RBX6

Ligands and binding sites

  • RUR · [3,3'-(7,12-diethyl-3,8,13,17-tetramethylporphyrin-2, 18-diyl-kappa~4~n~21~,n~22~,n~23~,n~24~) dipropanoato(2-)]ruthenium · ligand · chains A
  • CMO · Carbon monoxide · ion · 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, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13650.830.9135RUR, CMO
2820.360.7517empty

Compared structures

  • 3M0B · Ru-Porphyrin Protein Scaffolds for Sensing O2 · the same entry in another collection · chain A against A, TM-score 1.00

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