Research workbench
Chitin synthase 2 from candida albicans bound to polyoxin D
Analyse Chitin synthase 2 from candida albicans bound to polyoxin D in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7STO
- Type
- protein
- Length
- 1,580 residues
- Chains
- 2
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Chitin synthase
- EC
- 2.4.1.16
- UniProt
- A0A1D8PTV3
- Ligands
- 3PE, BJ9
- Pockets
- 20 · best druggability 0.86
Structure
electron microscopy · 1 distinct chain · 54% helix, 12% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B, A | Chitin synthase (EC 2.4.1.16) | protein | 790 | 54% helix, 12% strand | A0A1D8PTV3 |
Ligands and binding sites
- 3PE · 1,2-diacyl-sn-glycero-3-phosphoethanolamine · ligand · 8 copies · chains B, A
- BJ9 · 1-{(2R,3R,4S,5R)-5-[(S)-{[(2S,3S,4S)-2-amino-5-(carbamoyloxy)-3,4-dihydroxypentanoyl]amino}(carboxy) methyl]-3,4-dihydroxyoxolan-2-yl}-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid (non-preferred name) · ligand · 2 copies · chains B, A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 10 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1045 | 0.86 | 0.87 | 88 | 3PE, BJ9 |
| 2 | 1184 | 0.86 | 0.87 | 126 | 3PE, BJ9 |
| 3 | 1111 | 0.84 | 0.84 | 66 | 3PE |
| 4 | 610 | 0.69 | 0.78 | 49 | empty |
| 5 | 85 | 0.58 | 0.87 | 19 | empty |
Interfaces
1 interface between chains.
- B–A · 4713 Ų buried · 40 hydrogen bonds · protein-protein
Compared structures
- 7STO · Chitin Synthase 2 from Candida albicans bound to polyoxin D · the same entry in another collection · chain B against B, 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 A0A1D8PTV3
- Elsewhere: RCSB PDB 7STO · PDBe 7STO · UniProt A0A1D8PTV3
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