MolNFT v1 · #99384 · protein
Crystal structure of the ancestral soluble variant of the human phosphate binding protein (hpbp)
4M1V · Phosphate-binding protein: “Crystal structure of the ancestral soluble variant of the human phosphate binding protein (hpbp)”. X-ray diffraction, 1 ligand (PO4), 3 pockets (best druggability 0.33). MolNFT v1 #99384 on GenesisL1: 3D…
- PDB
- 4M1V
- Type
- protein
- Length
- 378 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Phosphate-binding protein
- UniProt
- P85173
- Ligands
- PO4
- Pockets
- 3 · best druggability 0.33
Structure
x-ray diffraction · 1 distinct chain · 33% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Phosphate-binding protein | protein | 378 | 33% helix, 19% strand | P85173 |
Ligands and binding sites
- PO4 · Phosphate ion · ion · chains A
- EDO · 1,2-ethanediol · additive · 6 copies · chains A
- ACT · Acetate ion · additive · chains A
- GOL · Glycerol · additive · 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, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 83 | 0.33 | 0.74 | 21 | EDO |
| 2 | 60 | 0.29 | 0.74 | 19 | EDO, GOL |
| 3 | 53 | 0.29 | 0.75 | 18 | empty |
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 4M1V · Crystal structure of the ancestral soluble variant of the Human Phosphate Binding Protein… · the same entry in another collection · chain A against A, TM-score 1.00
- P85173 · AlphaFold monomer V2.0 prediction for phosphate-binding protein (P85173) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 P85173
- Elsewhere: RCSB PDB 4M1V · PDBe 4M1V · UniProt P85173
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