MolNFT v1 · #95336 · protein
Crystal structure of the CHS5-BCH1 exomer cargo adaptor complex
4IN3 · Chitin biosynthesis protein CHS5: “Crystal structure of the CHS5-BCH1 exomer cargo adaptor complex”. X-ray diffraction, 18 pockets (best druggability 0.79). MolNFT v1 #95336 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 4IN3
- Type
- protein
- Length
- 1,376 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Chitin biosynthesis protein CHS5; Protein BCH1
- UniProt
- Q12114, Q05029
- Pockets
- 18 · best druggability 0.79
Structure
x-ray diffraction · 4 distinct chains · 55% helix, 10% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Chitin biosynthesis protein CHS5 | protein | 80 | 30% helix, 36% strand | Q12114 |
| B | Protein BCH1 | protein | 589 | 59% helix, 5% strand | Q05029 |
| C | Chitin biosynthesis protein CHS5 | protein | 75 | 32% helix, 37% strand | Q12114 |
| D | Protein BCH1 | protein | 632 | 56% helix, 9% strand | Q05029 |
Pockets
18 pockets found on a 1 Å grid, 12 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1097 | 0.79 | 0.80 | 100 | empty |
| 2 | 1198 | 0.78 | 0.80 | 104 | empty |
| 3 | 402 | 0.68 | 0.81 | 42 | empty |
| 4 | 387 | 0.64 | 0.79 | 52 | empty |
| 5 | 314 | 0.63 | 0.80 | 28 | empty |
Interfaces
5 interfaces between chains.
- A–C · 1505 Ų buried · 13 hydrogen bonds · protein-protein
- C–D · 953 Ų buried · 14 hydrogen bonds · protein-protein
- A–B · 861 Ų buried · 9 hydrogen bonds · protein-protein
- B–C · 629 Ų buried · 5 hydrogen bonds · protein-protein
- A–D · 572 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 4IN3 · Crystal Structure of the Chs5-Bch1 Exomer Cargo Adaptor Complex · the same entry in another collection · chain D against D, TM-score 1.00
- Q05029 · AlphaFold monomer V2.0 prediction for protein BCH1 (Q05029) · 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 C against A, TM-score 0.97
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 Q05029
- Elsewhere: RCSB PDB 4IN3 · PDBe 4IN3 · UniProt Q12114 · UniProt Q05029
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