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MolNFT v1 · #34135 · protein

Novel bromate species trapped within a protein crystal

2D6B · Lysozyme C: “Novel bromate species trapped within a protein crystal”. X-ray diffraction, 3 ligands (202, NA, CL), 1 pocket (best druggability 0.31). MolNFT v1 #34135 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
2D6B
Type
protein
Length
129 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Lysozyme C
EC
3.2.1.17
UniProt
P00698
Ligands
202, NA, CL
Pockets
1 · best druggability 0.31

Structure

x-ray diffraction · 1 distinct chain · 41% helix, 11% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ALysozyme C (EC 3.2.1.17)protein12941% helix, 11% strandP00698

Ligands and binding sites

  • 202 · Bromic acid · ligand · 9 copies · chains A
  • NA · Sodium ion · metal · chains A
  • CL · Chloride ion · ion · 2 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
1530.310.7616202

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

  • 2D6B · Novel Bromate Species trapped within a Protein Crystal · the same entry in another collection · chain A against A, TM-score 1.00

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