MolNFT v1 · #90891 · protein
Crystal structure of the alnumycin P phosphatase in complex with free phosphate
4EX7 · Alnb: “Crystal structure of the alnumycin P phosphatase in complex with free phosphate”. X-ray diffraction, 3 ligands (MG, BO3, PO4), 3 pockets (best druggability 0.54). MolNFT v1 #90891 on GenesisL1: 3D structure, binding sites and…
- PDB
- 4EX7
- Type
- protein
- Length
- 217 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Alnb
- UniProt
- B6SEG4
- Ligands
- MG, BO3, PO4
- Pockets
- 3 · best druggability 0.54
Structure
x-ray diffraction · 1 distinct chain · 54% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Alnb | protein | 217 | 54% helix, 14% strand | B6SEG4 |
Ligands and binding sites
- MG · Magnesium ion · metal · chains A
- BO3 · Boric acid · ion · chains A
- PO4 · Phosphate ion · ion · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 75 | 0.54 | 0.86 | 23 | MG, PO4 |
| 2 | 73 | 0.36 | 0.76 | 18 | empty |
| 3 | 52 | 0.29 | 0.75 | 15 | empty |
Compared structures
- 4EX7 · Crystal structure of the alnumycin P phosphatase in complex with free phosphate · 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 B6SEG4
- Elsewhere: RCSB PDB 4EX7 · PDBe 4EX7 · UniProt B6SEG4
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