MolNFT v1 · #108750 · protein
N-acetylhexosamine 1-kinase in complex with ADP
4WH2: “N-acetylhexosamine 1-kinase in complex with ADP”. X-ray diffraction, 2 ligands (ADP, MG), 3 pockets (best druggability 0.76). MolNFT v1 #108750 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4WH2
- Type
- protein
- Length
- 355 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- N-acetylhexosamine 1-kinase
- EC
- 2.7.1.162
- UniProt
- E8MF12
- Ligands
- ADP, MG
- Pockets
- 3 · best druggability 0.76
Structure
x-ray diffraction · 1 distinct chain · 49% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | N-acetylhexosamine 1-kinase (EC 2.7.1.162) | protein | 355 | 49% helix, 14% strand | E8MF12 |
Ligands and binding sites
- ADP · Adenosine-5'-diphosphate · ligand · chains A
- MG · Magnesium ion · metal · 2 copies · chains A
- ACY · Acetic acid · additive · 5 copies · 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, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 790 | 0.76 | 0.80 | 68 | ADP, MG, ACY, GOL |
| 2 | 69 | 0.40 | 0.79 | 16 | empty |
| 3 | 66 | 0.37 | 0.78 | 11 | empty |
Compared structures
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 E8MF12
- Elsewhere: RCSB PDB 4WH2 · PDBe 4WH2 · UniProt E8MF12
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