GL1X · GenesisL1 explorer

MolNFT v1 · #18036 · protein

De novo designed peptide-metalloporphyrin complex, solution structure

1PBZ · De novo designed cyclic peptide: “De novo designed peptide-metalloporphyrin complex, solution structure”. Solution nmr, 3 ligands (ACE, PC3, NH2). MolNFT v1 #18036 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
1PBZ
Type
protein
Length
34 residues
Chains
2
Method
solution nmr
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
De novo designed cyclic peptide
Ligands
ACE, PC3, NH2

Structure

solution nmr · 1 distinct chain · 76% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BDe novo designed cyclic peptideprotein1776% helix, 0% strand—

Ligands and binding sites

  • ACE · Acetyl group · ligand · 2 copies · chains A, B
  • PC3 · Coproporphyrin I containing co(iii) · ligand · chains A, B
  • NH2 · Amino group · ion · 2 copies · chains A, B

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

Interfaces

1 interface between chains.

  • A–B · 124 Ų buried · 0 hydrogen bonds · protein-protein

Modifications

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

Compared structures

  • 1PBZ · De novo designed peptide-metalloporphyrin complex, solution structure · the same entry in another collection · chain A against A, TM-score 1.00

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