MolNFT v1 · #64259 · protein
Structure from the mobile metagenome of V. cholerae. integron cassette protein VCH_CASS3
3FY6: “Structure from the mobile metagenome of V. cholerae. integron cassette protein VCH_CASS3”. X-ray diffraction, 2 pockets (best druggability 0.56). MolNFT v1 #64259 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3FY6
- Type
- protein
- Length
- 481 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Integron cassette protein
- Pockets
- 2 · best druggability 0.56
Structure
x-ray diffraction · 3 distinct chains · 38% helix, 30% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | Integron cassette protein | protein | 118 | 38% helix, 32% strand | — |
| B | Integron cassette protein | protein | 126 | 38% helix, 29% strand | — |
| D | Integron cassette protein | protein | 119 | 38% helix, 29% strand | — |
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 233 | 0.56 | 0.78 | 39 | empty |
| 2 | 64 | 0.31 | 0.75 | 14 | empty |
Interfaces
5 interfaces between chains.
- A–C · 1292 Ų buried · 13 hydrogen bonds · protein-protein
- B–D · 1285 Ų buried · 13 hydrogen bonds · protein-protein
- C–D · 640 Ų buried · 17 hydrogen bonds · protein-protein
- A–D · 225 Ų buried · 5 hydrogen bonds · protein-protein
- B–C · 223 Ų buried · 5 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 16 modified (engineered).
Compared structures
- 3FY6 · Structure from the mobile metagenome of V. Cholerae. Integron cassette protein VCH_CASS3 · 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
- Elsewhere: RCSB PDB 3FY6 · PDBe 3FY6
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