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Crystal structure of an artificial METALLOPROTEIN:CR(III)(3,3'-ME2- SALOPHEN)/APO-A71G myoglobin

Analyse Crystal structure of an artificial METALLOPROTEIN:CR(III)(3,3'-ME2… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1J3F
Type
protein
Length
152 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Myoglobin
UniProt
P02185
Ligands
CZM, CR, PO4
Pockets
1 · best druggability 0.66

Structure

x-ray diffraction · 1 distinct chain · 77% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AMyoglobinprotein15277% helix, 0% strandP02185

Ligands and binding sites

  • CZM · N,N'-bis-(2-hydroxy-3-methyl-benzylidene)-benzene-1,2-diamine · ligand · chains A
  • CR · Chromium ion · metal · chains A
  • PO4 · Phosphate ion · ion · 6 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, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11860.660.8524CR, CZM

Compared structures

  • 1J3F · Crystal Structure of an Artificial Metalloprotein:Cr(III)(3,3'-Me2-salophen)/apo-A71G… · the same entry in another collection · chain A against A, TM-score 1.00

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