MolNFT v1 · #187729 · protein
Chitin synthase 2 from candida albicans bound to nikkomycin Z
7STN: “Chitin synthase 2 from candida albicans bound to nikkomycin Z”. Electron microscopy, 2 ligands (3PE, BGI), 20 pockets (best druggability 0.86). MolNFT v1 #187729 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7STN
- 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, BGI
- Pockets
- 20 · best druggability 0.86
Structure
electron microscopy · 1 distinct chain · 54% helix, 12% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | 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 A, B
- BGI · (2S)-{[(2S,3S,4S)-2-amino-4-hydroxy-4-(5-hydroxypyridin-2-yl)-3-methylbutanoyl]amino}[(2r,3s, 4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3, 4-dihydroxyoxolan-2-yl]acetic acid (non-preferred name) · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 11 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1176 | 0.86 | 0.87 | 111 | 3PE, BGI |
| 2 | 698 | 0.85 | 0.89 | 97 | 3PE |
| 3 | 1063 | 0.84 | 0.84 | 68 | 3PE |
| 4 | 435 | 0.68 | 0.80 | 47 | empty |
| 5 | 107 | 0.60 | 0.87 | 24 | empty |
Interfaces
1 interface between chains.
- A–B · 4720 Ų buried · 42 hydrogen bonds · protein-protein
Compared structures
- 7STN · Chitin Synthase 2 from Candida albicans bound to Nikkomycin Z · 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 A0A1D8PTV3
- Elsewhere: RCSB PDB 7STN · PDBe 7STN · UniProt A0A1D8PTV3
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