MolNFT v1 · #2539 · protein
Human PTP1B complexed with tpicooh
1BZJ · Protein (protein-tyrosine-phosphatase): “Human PTP1B complexed with tpicooh”. X-ray diffraction, 1 ligand (PIC), 2 pockets (best druggability 0.50). MolNFT v1 #2539 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1BZJ
- Type
- protein
- Length
- 297 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Protein (protein-tyrosine-phosphatase)
- EC
- 3.1.3.48
- UniProt
- P18031
- Ligands
- PIC
- Pockets
- 2 · best druggability 0.50
Structure
x-ray diffraction · 1 distinct chain · 36% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Protein (protein-tyrosine-phosphatase) (EC 3.1.3.48) | protein | 297 | 36% helix, 20% strand | P18031 |
Ligands and binding sites
- PIC · 6-(difluoro-phosphono-methyl)-naphthalene-2-carboxylic acid · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 56 | 0.50 | 0.86 | 15 | PIC |
| 2 | 53 | 0.34 | 0.78 | 13 | empty |
Compared structures
- 1BZJ · Human ptp1b complexed with tpicooh · 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 1BZJ · PDBe 1BZJ · UniProt P18031
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