MolNFT v1 · #179826 · protein
Human lmptp in complex with inhibitor
7KH8 · Low molecular weight phosphotyrosine protein phosphatase: “Human lmptp in complex with inhibitor”. X-ray diffraction, 2 ligands (WE7, NO3), 1 pocket (best druggability 0.72). MolNFT v1 #179826 on GenesisL1: 3D structure, binding…
- PDB
- 7KH8
- Type
- protein
- Length
- 310 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Low molecular weight phosphotyrosine protein phosphatase
- EC
- 3.1.3.48, 3.1.3.2
- UniProt
- P24666
- Ligands
- WE7, NO3
- Pockets
- 1 · best druggability 0.72
Structure
x-ray diffraction · 2 distinct chains · 44% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Low molecular weight phosphotyrosine protein phosphatase (EC 3.1.3.48, 3.1.3.2) | protein | 155 | 44% helix, 15% strand | P24666 |
| B | Low molecular weight phosphotyrosine protein phosphatase (EC 3.1.3.48, 3.1.3.2) | protein | 155 | 44% helix, 15% strand | P24666 |
Ligands and binding sites
- WE7 · 3-[(2,6-dichlorophenyl)methyl]-8-(2-methylphenyl)-3H-purin-6-amine · ligand · 2 copies · chains A, B
- NO3 · Nitrate ion · ion · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 813 | 0.72 | 0.78 | 66 | WE7, NO3 |
Interfaces
1 interface between chains.
- A–B · 278 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
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 P24666
- Elsewhere: RCSB PDB 7KH8 · PDBe 7KH8 · UniProt P24666
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