MolNFT v1 · #91259 · protein
Crystal structure of E. COLI hppk in complex with bisubstrate analogue inhibitor J1D (HP26)
4F7V · 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine…: “Crystal structure of E. COLI hppk in complex with bisubstrate analogue inhibitor J1D (HP26)”. X-ray diffraction, 1 ligand (J1D), 2 pockets (best druggability 0.62). MolNFT v1…
- PDB
- 4F7V
- Type
- protein
- Length
- 158 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase
- EC
- 2.7.6.3
- UniProt
- P26281
- Ligands
- J1D
- Pockets
- 2 · best druggability 0.62
Structure
x-ray diffraction · 1 distinct chain · 31% helix, 27% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase (EC 2.7.6.3) | protein | 158 | 31% helix, 27% strand | P26281 |
Ligands and binding sites
- J1D · 5'-{[2-({N-[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)carbonyl]glycyl}amino)ethyl]sulfonyl}-5'-deoxyadenosine · ligand · 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, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 234 | 0.62 | 0.81 | 32 | J1D |
| 2 | 57 | 0.28 | 0.73 | 13 | empty |
Compared structures
- 4F7V · Crystal structure of E. coli HPPK in complex with bisubstrate analogue inhibitor J1D… · the same entry in another collection · chain A against A, TM-score 1.00
- P26281 · AlphaFold monomer V2.0 prediction for 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine… · a predicted model of the same protein · chain A against A, TM-score 0.96
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 P26281
- Elsewhere: RCSB PDB 4F7V · PDBe 4F7V · UniProt P26281
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