MolNFT v1 · #102132 · protein
N-acetylhexosamine 1-phosphate kinase in complex with glcnac-1- phosphate and ADP
4OCP: “N-acetylhexosamine 1-phosphate kinase in complex with glcnac-1- phosphate and ADP”. X-ray diffraction, 3 ligands (GN1, ADP, MG), 4 pockets (best druggability 0.80). MolNFT v1 #102132 on GenesisL1: 3D structure, binding sites and…
- PDB
- 4OCP
- Type
- protein
- Length
- 355 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- N-acetylhexosamine 1-phosphate kinase
- EC
- 2.7.1.162
- UniProt
- T2I3Q3
- Ligands
- GN1, ADP, MG
- Pockets
- 4 · best druggability 0.80
Structure
x-ray diffraction · 1 distinct chain · 49% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | N-acetylhexosamine 1-phosphate kinase (EC 2.7.1.162) | protein | 355 | 49% helix, 14% strand | T2I3Q3 |
Ligands and binding sites
- GN1 · 2-acetamido-2-deoxy-1-O-phosphono-alpha-D-glucopyranose · ligand · chains A
- ADP · Adenosine-5'-diphosphate · ligand · chains A
- MG · Magnesium ion · metal · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 331 | 0.80 | 0.90 | 45 | GN1, ADP, MG |
| 2 | 113 | 0.46 | 0.79 | 18 | empty |
| 3 | 78 | 0.43 | 0.80 | 14 | empty |
| 4 | 84 | 0.42 | 0.78 | 16 | empty |
Modifications
Observed in the structure: 10 modified (engineered).
Compared structures
- 4OCP · N-acetylhexosamine 1-phosphate kinase in complex with GlcNAc-1-phosphate and ADP · 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 T2I3Q3
- Elsewhere: RCSB PDB 4OCP · PDBe 4OCP · UniProt T2I3Q3
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