Research workbench
Cyclic peptide inhibitor of human PTP1B
Analyse Cyclic peptide inhibitor of human PTP1B in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1BZH
- Type
- protein
- Length
- 303 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Protein (protein-tyrosine-phosphatase 1B); Protein (protein-tyrosine-phosphatase 1B…
- EC
- 3.1.3.48
- UniProt
- P18031
- Ligands
- AEA
- Pockets
- 1 · best druggability 0.37
Structure
x-ray diffraction · 2 distinct chains · 34% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Protein (protein-tyrosine-phosphatase 1B) (EC 3.1.3.48) | protein | 297 | 35% helix, 23% strand | P18031 |
| I | Protein (protein-tyrosine-phosphatase 1B inhibitor) | protein | 6 | 0% helix, 0% strand | — |
Ligands and binding sites
- AEA · (2-amino-2-carbamoyl-ethylsulfanyl)-acetic acid · ligand · chains I
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 88 | 0.37 | 0.76 | 18 | empty |
Interfaces
1 interface between chains.
- A–I · 462 Ų buried · 14 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 covalent, 1 modified (covalent ligand, nonstandard).
Compared structures
- 1BZH · Cyclic peptide inhibitor of human PTP1B · the same entry in another collection · chain A against A, TM-score 1.00
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt P18031
- Elsewhere: RCSB PDB 1BZH · PDBe 1BZH · UniProt P18031
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