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MolNFT v1 · #16215 · protein

Three-dimensional structure of porcine procarboxypeptidase B: a structural basis of its inactivity

1NSA: “Three-dimensional structure of porcine procarboxypeptidase B: a structural basis of its inactivity”. X-ray diffraction, 2 ligands (BEN, ZN), 2 pockets (best druggability 0.79). MolNFT v1 #16215 on GenesisL1: 3D structure, binding…

PDB
1NSA
Type
protein
Length
395 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Procarboxypeptidase B
UniProt
P09955
Ligands
BEN, ZN
Pockets
2 · best druggability 0.79

Structure

x-ray diffraction · 1 distinct chain · 38% helix, 19% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AProcarboxypeptidase Bprotein39538% helix, 19% strandP09955

Ligands and binding sites

  • BEN · Benzamidine · ligand · 3 copies · chains A
  • ZN · Zinc ion · metal · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13360.790.9038BEN
22100.480.7529empty

Modifications

Observed in the structure: 3 disulfide (disulfide).

Compared structures

  • 1NSA · Three-dimensional structure of porcine procarboxypeptidase B: a structural basis of its… · the same entry in another collection · chain A against A, TM-score 1.00
  • P09955 · AlphaFold monomer V2.0 prediction for carboxypeptidase B (P09955) · a predicted model of the same protein · chain A against A, TM-score 0.99

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