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MolNFT v1 · #21115 · protein

Large increases in general stability for subtilisin BPN(PRIME) through incremental changes in the free energy of unfolding

1S01 · Subtilisin bpn': “Large increases in general stability for subtilisin BPN(PRIME) through incremental changes in the free energy…”. X-ray diffraction, 1 ligand (CA), 1 pocket (best druggability 0.40). MolNFT v1 #21115 on GenesisL1…

PDB
1S01
Type
protein
Length
275 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Subtilisin bpn'
EC
3.4.21.62
UniProt
P00782
Ligands
CA
Pockets
1 · best druggability 0.40

Structure

x-ray diffraction · 1 distinct chain · 30% helix, 20% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ASubtilisin bpn' (EC 3.4.21.62)protein27530% helix, 20% strandP00782

Ligands and binding sites

  • CA · Calcium ion · metal · chains A
  • IPA · Isopropyl alcohol · additive · 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
11110.400.7628empty

Modifications

Observed in the structure: 1 modified (methylation).

Compared structures

  • 1S01 · Large increases in general stability for subtilisin BPN(PRIME) through incremental… · the same entry in another collection · chain A against A, TM-score 1.00
  • P00782 · AlphaFold monomer V2.0 prediction for subtilisin bpn' (P00782) · a predicted model of the same protein · chain A against A, TM-score 1.00

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