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Crystal structure of N-acetyl mannosmaine kinase in complex with N- acetylmannosamine in pasteurella multocida
Analyse Crystal structure of N-acetyl mannosmaine kinase in complex with N… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6JDA
- Type
- protein
- Length
- 291 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- N-acetylmannosamine kinase
- EC
- 2.7.1.60
- UniProt
- A0A2K0XYW4
- Ligands
- BM3, ZN
- Pockets
- 5 · best druggability 0.77
Structure
x-ray diffraction · 1 distinct chain · 41% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | N-acetylmannosamine kinase (EC 2.7.1.60) | protein | 291 | 41% helix, 24% strand | A0A2K0XYW4 |
Ligands and binding sites
- BM3 · 2-acetamido-2-deoxy-alpha-D-mannopyranose · ligand · chains A
- ZN · Zinc ion · metal · chains A
- GOL · Glycerol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 319 | 0.77 | 0.88 | 47 | BM3, GOL |
| 2 | 61 | 0.36 | 0.78 | 15 | empty |
| 3 | 83 | 0.34 | 0.75 | 20 | empty |
| 4 | 71 | 0.31 | 0.74 | 19 | empty |
| 5 | 59 | 0.27 | 0.73 | 20 | empty |
Compared structures
- 6JDA · Crystal structure of N-acetyl mannosmaine kinase in complex with N-acetylmannosamine in… · 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 A0A2K0XYW4
- Elsewhere: RCSB PDB 6JDA · PDBe 6JDA · UniProt A0A2K0XYW4
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