GL1X · GenesisL1 explorer

MolNFT v1 · #30999 · protein

Succinyl-aapk-trypsin acyl-enzyme at 1.28 a resolution

2AGG · Beta-trypsin: “Succinyl-aapk-trypsin acyl-enzyme at 1.28 a resolution”. X-ray diffraction, 2 ligands (CA, SO4). MolNFT v1 #30999 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
2AGG
Type
protein
Length
227 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Beta-trypsin; Succinyl-ala-ala-pro-lys
EC
3.4.21.4
UniProt
P00760
Ligands
CA, SO4

Structure

x-ray diffraction · 2 distinct chains · 11% helix, 36% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
XBeta-trypsin (EC 3.4.21.4)protein22311% helix, 35% strandP00760
ASuccinyl-ala-ala-pro-lysprotein40% helix, 50% strand—

Ligands and binding sites

  • CA · Calcium ion · metal · chains X
  • SO4 · Sulfate ion · ion · chains X
  • SIN · Succinic acid · additive · chains X, A

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

Interfaces

1 interface between chains.

  • X–A · 348 Ų buried · 14 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 6 disulfide, 1 covalent (disulfide, additive adduct).

Compared structures

  • 2AGG · succinyl-AAPK-trypsin acyl-enzyme at 1.28 A resolution · the same entry in another collection · chain X against X, TM-score 1.00
  • 1TNH · Prediction of novel serine protease inhibitors · a predicted model of the same protein · chain X against A, TM-score 1.00
  • 1TNG · Prediction of novel serine protease inhibitors · a predicted model of the same protein · chain X against A, TM-score 1.00
  • 1TNK · Prediction of novel serine protease inhibitors · a predicted model of the same protein · chain X against A, TM-score 1.00
  • 1TNJ · Prediction of novel serine protease inhibitors · a predicted model of the same protein · chain X against A, TM-score 1.00
  • 1TNL · Prediction of novel serine protease inhibitors · a predicted model of the same protein · chain X against A, TM-score 1.00
  • 1TNI · Prediction of novel serine protease inhibitors · a predicted model of the same protein · chain X against A, TM-score 1.00

Analyse

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