Research workbench
Crystal structure of SLTB3 from pseudomonas aeruginosa in complex with nag-anhnam-pentapeptide
Analyse Crystal structure of SLTB3 from pseudomonas aeruginosa in complex with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5AO7
- Type
- protein
- Length
- 375 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Soluble lytic transglycosylase B3
- UniProt
- Q9HX28
- Ligands
- AH0, NAG, CA
- Pockets
- 5 · best druggability 0.71
Structure
x-ray diffraction · 1 distinct chain · 51% helix, 6% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Soluble lytic transglycosylase B3 | protein | 375 | 51% helix, 6% strand | Q9HX28 |
Ligands and binding sites
- AH0 · 2-(2-acetylamino-4-hydroxy-6,8-dioxa-bicyclo[3.2.1]oct-3-yloxy)-propionic acid · ligand · chains A
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 2 copies · chains A
- CA · Calcium ion · metal · chains A
- TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · chains A
- PEG · Di(hydroxyethyl)ether · 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 | 441 | 0.71 | 0.81 | 45 | empty |
| 2 | 107 | 0.49 | 0.80 | 17 | empty |
| 3 | 113 | 0.42 | 0.77 | 27 | empty |
| 4 | 64 | 0.32 | 0.75 | 14 | empty |
| 5 | 53 | 0.27 | 0.74 | 14 | NAG |
Compared structures
- 5AO7 · Crystal Structure of SltB3 from Pseudomonas aeruginosa in complex with… · 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 Q9HX28
- Elsewhere: RCSB PDB 5AO7 · PDBe 5AO7 · UniProt Q9HX28
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