MolNFT v1 · #108841 · protein
Crystal structure of the CHS5-CHS6 exomer cargo adaptor complex bound to portion of CHS3
4WJW · Chitin biosynthesis protein CHS5: “Crystal structure of the CHS5-CHS6 exomer cargo adaptor complex bound to portion of CHS3”. X-ray diffraction, 10 pockets (best druggability 0.82). MolNFT v1 #108841 on GenesisL1: 3D structure…
- PDB
- 4WJW
- Type
- protein
- Length
- 755 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Chitin biosynthesis protein CHS5; Chitin biosynthesis protein CHS6; Chitin synthase 3
- EC
- 2.4.1.16
- UniProt
- Q12114, P40955
- Pockets
- 10 · best druggability 0.82
Structure
x-ray diffraction · 3 distinct chains · 54% helix, 9% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Chitin biosynthesis protein CHS5 | protein | 68 | 26% helix, 10% strand | Q12114 |
| B | Chitin biosynthesis protein CHS6 | protein | 673 | 56% helix, 9% strand | P40955 |
| P | Chitin synthase 3 (EC 2.4.1.16) | protein | 14 | 79% helix, 0% strand | — |
Pockets
10 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1191 | 0.82 | 0.83 | 91 | empty |
| 2 | 289 | 0.69 | 0.83 | 38 | empty |
| 3 | 213 | 0.61 | 0.82 | 23 | empty |
| 4 | 220 | 0.54 | 0.77 | 22 | empty |
| 5 | 70 | 0.37 | 0.77 | 14 | empty |
Interfaces
2 interfaces between chains.
- A–B · 836 Ų buried · 7 hydrogen bonds · protein-protein
- B–P · 546 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 4WJW · Crystal Structure of the Chs5-Chs6 Exomer Cargo Adaptor Complex Bound to portion of Chs3 · the same entry in another collection · chain A against A, TM-score 1.00
- P40955 · AlphaFold monomer V2.0 prediction for chitin biosynthesis protein CHS6 (P40955) · a predicted model of the same protein · chain B against A, TM-score 0.99
- Q12114 · AlphaFold monomer V2.0 prediction for chitin biosynthesis protein CHS5 (Q12114) · a predicted model of the same protein · chain A against A, TM-score 0.57
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 Q12114
- Every structure of UniProt P40955
- Elsewhere: RCSB PDB 4WJW · PDBe 4WJW · UniProt Q12114 · UniProt P40955
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