MolNFT v1 · #60688 · protein
Crystal structure of putative transglycosylase from caulobacter crescentus
3CZB: “Crystal structure of putative transglycosylase from caulobacter crescentus”. X-ray diffraction, 1 ligand (SO4), 11 pockets (best druggability 0.65). MolNFT v1 #60688 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3CZB
- Type
- protein
- Length
- 651 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative transglycosylase
- UniProt
- Q9A226
- Ligands
- SO4
- Pockets
- 11 · best druggability 0.65
Structure
x-ray diffraction · 2 distinct chains · 26% helix, 30% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Putative transglycosylase | protein | 325 | 26% helix, 29% strand | Q9A226 |
| B | Putative transglycosylase | protein | 326 | 26% helix, 30% strand | Q9A226 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 7 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
11 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 422 | 0.65 | 0.78 | 36 | empty |
| 2 | 132 | 0.46 | 0.78 | 34 | empty |
| 3 | 153 | 0.46 | 0.77 | 28 | empty |
| 4 | 84 | 0.42 | 0.79 | 23 | empty |
| 5 | 71 | 0.42 | 0.80 | 21 | empty |
Interfaces
1 interface between chains.
- A–B · 486 Ų buried · 3 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 3CZB · Crystal structure of putative transglycosylase from Caulobacter crescentus · 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 Q9A226
- Elsewhere: RCSB PDB 3CZB · PDBe 3CZB · UniProt Q9A226
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