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MolNFT v1 · #150199 · protein

Genetic engineering of an artificial metalloenzyme for transfer hydrogenation of a self-immolative substrate in E. COLI'S periplasm.

6GMI · Streptavidin: “Genetic engineering of an artificial metalloenzyme for transfer hydrogenation of a self-immolative substrate…”. X-ray diffraction, 2 ligands (4IR, IR3), 1 pocket (best druggability 0.48). MolNFT v1 #150199 on…

PDB
6GMI
Type
protein
Length
120 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Streptavidin
UniProt
P22629
Ligands
4IR, IR3
Pockets
1 · best druggability 0.48

Structure

x-ray diffraction · 1 distinct chain · 6% helix, 56% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AStreptavidinprotein1206% helix, 56% strandP22629

Ligands and binding sites

  • 4IR · {N-(4-{[2-(amino-kappaN)ethyl]sulfamoyl-kappaN}phenyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide}(chloro)[(1,2,3,4,5-eta)-1,2,3,4,5-pentamethylcyclopentadienyl]iridium(III) · ligand · chains A
  • IR3 · Iridium (III) ion · metal · 4 copies · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11000.480.80194IR

Compared structures

  • 6GMI · Genetic Engineering of an Artificial Metalloenzyme for Transfer Hydrogenation of a… · the same entry in another collection · chain A against A, TM-score 1.00

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