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MolNFT v1 · #17652 · protein

Structure analysis of specificity. alpha-lytic protease complexes with analogues of reaction intermediates

1P03: “Structure analysis of specificity. alpha-lytic protease complexes with analogues of reaction intermediates”. X-ray diffraction, 2 ligands (B2V, SO4). MolNFT v1 #17652 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
1P03
Type
protein
Length
201 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Alpha-lytic protease; Methoxysuccinyl-ala-ala-pro-valine boronic acid inhibitor
EC
3.4.21.12
UniProt
P00778
Ligands
B2V, SO4

Structure

x-ray diffraction · 2 distinct chains · 7% helix, 55% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AAlpha-lytic protease (EC 3.4.21.12)protein1987% helix, 55% strandP00778
PMethoxysuccinyl-ala-ala-pro-valine boronic acid inhibitorprotein30% helix, 33% strand—

Ligands and binding sites

  • B2V · Valine boronic acid · ligand · chains A, P
  • SO4 · Sulfate ion · ion · chains A

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

Interfaces

1 interface between chains.

  • A–P · 231 Ų buried · 3 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 3 disulfide, 2 covalent (disulfide, covalent ligand).

Compared structures

  • 1P03 · Structure analysis of specificity. alpha-lytic protease complexes with analogues of… · the same entry in another collection · chain A against A, TM-score 1.00
  • P00778 · AlphaFold monomer V2.0 prediction for alpha-lytic protease (P00778) · a predicted model of the same protein · chain A against A, TM-score 1.00

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