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MolNFT v1 · #24000 · protein

Crystal structure of porcine alpha trypsin bound with auto catalyticaly produced native peptide at 2.15 a resolution

1UHB: “Crystal structure of porcine alpha trypsin bound with auto catalyticaly produced native peptide at 2.15 a…”. X-ray diffraction, 1 ligand (CA). MolNFT v1 #24000 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
1UHB
Type
protein
Length
232 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Trypsin; 9-mer peptide from trypsin
EC
3.4.21.4
UniProt
P00761
Ligands
CA

Structure

x-ray diffraction · 3 distinct chains · 9% helix, 33% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ATrypsin (EC 3.4.21.4)protein1252% helix, 37% strandP00761
BTrypsin (EC 3.4.21.4)protein9819% helix, 31% strandP00761
P9-mer peptide from trypsin (EC 3.4.21.4)protein90% helix, 0% strandP00761

Ligands and binding sites

  • CA · Calcium ion · metal · chains A
  • ACT · Acetate ion · additive · chains A, P

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

Interfaces

3 interfaces between chains.

  • A–B · 2812 Ų buried · 53 hydrogen bonds · protein-protein
  • B–P · 397 Ų buried · 16 hydrogen bonds · protein-protein
  • A–P · 289 Ų buried · 4 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 6 disulfide (disulfide).

Compared structures

  • 1UHB · Crystal structure of porcine alpha trypsin bound with auto catalyticaly produced native… · the same entry in another collection · chain A against A, TM-score 1.00
  • P00761 · AlphaFold monomer V2.0 prediction for trypsin (P00761) · a predicted model of the same protein · chain A against A, TM-score 0.99

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