MolNFT v1 · #111087 · protein
Crystal structure of the CHS5-CHS6 exomer cargo adaptor complex
4YG8 · Chitin biosynthesis protein CHS5: “Crystal structure of the CHS5-CHS6 exomer cargo adaptor complex”. X-ray diffraction, 11 pockets (best druggability 0.79). MolNFT v1 #111087 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 4YG8
- Type
- protein
- Length
- 949 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Chitin biosynthesis protein CHS5; Chitin biosynthesis protein CHS6
- UniProt
- B3RHK5, P40955
- Pockets
- 11 · best druggability 0.79
Structure
x-ray diffraction · 2 distinct chains · 48% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Chitin biosynthesis protein CHS5 | protein | 276 | 24% helix, 25% strand | B3RHK5 |
| B | Chitin biosynthesis protein CHS6 | protein | 673 | 57% helix, 9% strand | P40955 |
Ligands and binding sites
- EPE · 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid · additive · chains B
- GOL · Glycerol · additive · chains 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, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 816 | 0.79 | 0.82 | 66 | EPE |
| 2 | 712 | 0.79 | 0.83 | 78 | empty |
| 3 | 52 | 0.61 | 0.93 | 19 | empty |
| 4 | 174 | 0.54 | 0.79 | 22 | empty |
| 5 | 167 | 0.49 | 0.78 | 29 | empty |
Interfaces
1 interface between chains.
- A–B · 833 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 4YG8 · Crystal structure of the CHS5-CHS6 exomer cargo adaptor complex · 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
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 B3RHK5
- Every structure of UniProt P40955
- Elsewhere: RCSB PDB 4YG8 · PDBe 4YG8 · UniProt B3RHK5 · UniProt P40955
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