MolNFT v1 · #135127 · protein
E. COLI alkaline phosphatase D101A, D153A, R166S, E322A, K328A mutant
5TPQ: “E. COLI alkaline phosphatase D101A, D153A, R166S, E322A, K328A mutant”. X-ray diffraction, 2 ligands (ZN, PO4), 6 pockets (best druggability 0.79). MolNFT v1 #135127 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5TPQ
- Type
- protein
- Length
- 890 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Alkaline phosphatase
- EC
- 3.1.3.1
- UniProt
- P00634
- Ligands
- ZN, PO4
- Pockets
- 6 · best druggability 0.79
Structure
x-ray diffraction · 2 distinct chains · 32% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Alkaline phosphatase (EC 3.1.3.1) | protein | 446 | 32% helix, 21% strand | P00634 |
| B | Alkaline phosphatase (EC 3.1.3.1) | protein | 444 | 32% helix, 21% strand | P00634 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 92 | 0.79 | 1.00 | 28 | empty |
| 2 | 100 | 0.47 | 0.80 | 18 | empty |
| 3 | 162 | 0.44 | 0.75 | 31 | PO4 |
| 4 | 170 | 0.43 | 0.74 | 29 | PO4 |
| 5 | 70 | 0.34 | 0.76 | 11 | empty |
Interfaces
1 interface between chains.
- A–B · 3900 Ų buried · 68 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 disulfide (disulfide).
Compared structures
- 5TPQ · E. coli alkaline phosphatase D101A, D153A, R166S, E322A, K328A mutant · 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 P00634
- Elsewhere: RCSB PDB 5TPQ · PDBe 5TPQ · UniProt P00634
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