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MolNFT v1 · #21496 · protein

Enzyme crystal structure in a neat organic solvent

1SCB · Subtilisin carlsberg: “Enzyme crystal structure in a neat organic solvent”. X-ray diffraction, 2 ligands (CCN, CA), 1 pocket (best druggability 0.29). MolNFT v1 #21496 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
1SCB
Type
protein
Length
274 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Subtilisin carlsberg
EC
3.4.21.62
UniProt
P00780
Ligands
CCN, CA
Pockets
1 · best druggability 0.29

Structure

x-ray diffraction · 1 distinct chain · 29% helix, 18% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ASubtilisin carlsberg (EC 3.4.21.62)protein27429% helix, 18% strandP00780

Ligands and binding sites

  • CCN · Acetonitrile · ligand · 12 copies · chains A
  • CA · Calcium ion · metal · 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
1670.290.7429CCN

Compared structures

  • 1SCB · Enzyme crystal structure in a neat organic solvent · the same entry in another collection · chain A against A, TM-score 1.00
  • P00780 · AlphaFold monomer V2.0 prediction for subtilisin carlsberg (P00780) · a predicted model of the same protein · chain A against A, TM-score 1.00

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