MolNFT v1 · #179706 · protein
Crystal structure of escherichia COLI hppk in complex with bisubstrate inhibitor hp-73
7KDO · 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine…: “Crystal structure of escherichia COLI hppk in complex with bisubstrate inhibitor hp-73”. X-ray diffraction, 1 ligand (H73), 2 pockets (best druggability 0.61). MolNFT v1 #179706…
- PDB
- 7KDO
- Type
- protein
- Length
- 155 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
- H73
- Pockets
- 2 · best druggability 0.61
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 | 155 | 31% helix, 27% strand | P26281 |
Ligands and binding sites
- H73 · 5'-S-[(2R,4R)-1-{2-[(2-amino-7,7-dimethyl-4-oxo-3,4,7, 8-tetrahydropteridine-6-carbonyl)amino]ethyl}-2-carboxypiperidin-4-yl]-5'-thioadenosine · 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 | 251 | 0.61 | 0.80 | 30 | H73 |
| 2 | 54 | 0.27 | 0.73 | 11 | empty |
Compared structures
- 7KDO · Crystal structure of Escherichia coli HPPK in complex with bisubstrate inhibitor HP-73 · 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 0.97
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 7KDO · PDBe 7KDO · UniProt P26281
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