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MolNFT v1 · #115156 · protein

Crystal structure of C-as lyase with mercaptoethonal

5CB9 · GLYOXALASE/BLEOMYCIN resistance PROTEIN/DIOXYGENASE: “Crystal structure of C-as lyase with mercaptoethonal”. X-ray diffraction, 2 ligands (NI, CL), 1 pocket (best druggability 0.42). MolNFT v1 #115156 on GenesisL1: 3D structure…

PDB
5CB9
Type
protein
Length
118 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
GLYOXALASE/BLEOMYCIN resistance PROTEIN/DIOXYGENASE
UniProt
D1A230
Ligands
NI, CL
Pockets
1 · best druggability 0.42

Structure

x-ray diffraction · 1 distinct chain · 22% helix, 38% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AGLYOXALASE/BLEOMYCIN resistance PROTEIN/DIOXYGENASEprotein11822% helix, 38% strandD1A230

Ligands and binding sites

  • NI · Nickel (II) ion · metal · chains A
  • CL · Chloride ion · ion · chains A
  • BME · Beta-mercaptoethanol · additive · 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
11210.420.7623NI, BME

Modifications

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

Compared structures

  • 5CB9 · Crystal structure of C-As lyase with mercaptoethonal · the same entry in another collection · chain A against A, TM-score 1.00

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