MolNFT v1 · #29393 · protein
Crystal structure of probable polysaccharide deacetylase from pseudomonas aeruginosa PAO1
1Z7A · Conserved hypothetical protein: “Crystal structure of probable polysaccharide deacetylase from pseudomonas aeruginosa PAO1”. X-ray diffraction, 20 pockets (best druggability 0.82). MolNFT v1 #29393 on GenesisL1: 3D structure…
- PDB
- 1Z7A
- Type
- protein
- Length
- 2,406 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Conserved hypothetical protein
- Pockets
- 20 · best druggability 0.82
Structure
x-ray diffraction · 3 distinct chains · 40% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, E, G | Conserved hypothetical protein | protein | 301 | 40% helix, 13% strand | — |
| C, D | Conserved hypothetical protein | protein | 300 | 40% helix, 13% strand | — |
| F, H | Conserved hypothetical protein | protein | 301 | 40% helix, 13% strand | — |
Ligands and binding sites
- EDO · 1,2-ethanediol · additive · 19 copies · chains A, B, C, D, E, F, G, H
- IPA · Isopropyl alcohol · additive · 8 copies · chains A, B, C, G, D, E, F, H
- GOL · Glycerol · additive · 7 copies · chains A, B, D, E, F, G, H
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 992 | 0.82 | 0.83 | 90 | GOL, IPA, EDO |
| 2 | 893 | 0.79 | 0.82 | 87 | empty |
| 3 | 392 | 0.75 | 0.85 | 47 | empty |
| 4 | 418 | 0.74 | 0.84 | 48 | empty |
| 5 | 347 | 0.74 | 0.86 | 44 | empty |
Interfaces
14 interfaces between chains.
- A–D · 2007 Ų buried · 40 hydrogen bonds · protein-protein
- A–B · 2002 Ų buried · 35 hydrogen bonds · protein-protein
- G–H · 1992 Ų buried · 39 hydrogen bonds · protein-protein
- E–F · 1983 Ų buried · 37 hydrogen bonds · protein-protein
- C–D · 1980 Ų buried · 36 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 88 modified (engineered).
Compared structures
- 1Z7A · Crystal structure of probable Polysaccharide deacetylase from Pseudomonas aeruginosa PAO1 · 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
- Elsewhere: RCSB PDB 1Z7A · PDBe 1Z7A
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