MolNFT v1 · #28883 · protein
Crystal structure of the N-acetylglucosamine-6-phosphate deacetylase from escherichia COLI K12 at 2.0 a resolution
1YRR: “Crystal structure of the N-acetylglucosamine-6-phosphate deacetylase from escherichia COLI K12 at 2.0 a…”. X-ray diffraction, 1 ligand (PO4), 2 pockets (best druggability 0.62). MolNFT v1 #28883 on GenesisL1: 3D structure, binding…
- PDB
- 1YRR
- Type
- protein
- Length
- 715 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- N-acetylglucosamine-6-phosphate deacetylase
- EC
- 3.5.1.25
- UniProt
- P15300
- Ligands
- PO4
- Pockets
- 2 · best druggability 0.62
Structure
x-ray diffraction · 2 distinct chains · 32% helix, 28% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | N-acetylglucosamine-6-phosphate deacetylase (EC 3.5.1.25) | protein | 381 | 30% helix, 28% strand | P15300 |
| B | N-acetylglucosamine-6-phosphate deacetylase (EC 3.5.1.25) | protein | 334 | 34% helix, 28% strand | P15300 |
Ligands and binding sites
- PO4 · Phosphate ion · ion · 2 copies · chains A, B
- GOL · Glycerol · additive · 3 copies · chains A, B
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 | 341 | 0.62 | 0.78 | 36 | PO4 |
| 2 | 57 | 0.36 | 0.79 | 24 | empty |
Interfaces
1 interface between chains.
- A–B · 1030 Ų buried · 21 hydrogen bonds · protein-protein
Compared structures
- 1YRR · Crystal Structure Of The N-Acetylglucosamine-6-Phosphate Deacetylase From Escherichia… · 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 P15300
- Elsewhere: RCSB PDB 1YRR · PDBe 1YRR · UniProt P15300
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