MolNFT v1 · #124274 · protein
Protein tyrosine phosphatase 1B delta helix 7, P185G mutant in complex with TCS401, open state
5KAB · Tyrosine-protein phosphatase non-receptor type 1: “Protein tyrosine phosphatase 1B delta helix 7, P185G mutant in complex with TCS401, open state”. X-ray diffraction, 2 ligands (OTA, CL), 2 pockets (best druggability 0.42). MolNFT…
- PDB
- 5KAB
- Type
- protein
- Length
- 282 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Tyrosine-protein phosphatase non-receptor type 1
- EC
- 3.1.3.48
- UniProt
- P18031
- Ligands
- OTA, CL
- Pockets
- 2 · best druggability 0.42
Structure
x-ray diffraction · 1 distinct chain · 35% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Tyrosine-protein phosphatase non-receptor type 1 (EC 3.1.3.48) | protein | 282 | 35% helix, 23% strand | P18031 |
Ligands and binding sites
- OTA · 2-(oxalyl-amino)-4,5,6,7-tetrahydro-thieno[2,3-c]pyridine-3-carboxylic acid · ligand · chains A
- CL · Chloride ion · ion · 5 copies · chains A
- GOL · Glycerol · additive · 2 copies · chains A
- TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · 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 | 151 | 0.42 | 0.74 | 23 | OTA |
| 2 | 67 | 0.37 | 0.78 | 15 | empty |
Compared structures
- 5KAB · Protein Tyrosine Phosphatase 1B Delta helix 7, P185G mutant in complex with TCS401, open… · 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 5KAB · PDBe 5KAB · UniProt P18031
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