MolNFT v1 · #67516 · protein
Structure from the mobile metagenome of vibrio cholerae. integron cassette protein VCH_CASS14
3IMO: “Structure from the mobile metagenome of vibrio cholerae. integron cassette protein VCH_CASS14”. X-ray diffraction, 5 pockets (best druggability 0.81). MolNFT v1 #67516 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3IMO
- Type
- protein
- Length
- 438 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Integron cassette protein
- Pockets
- 5 · best druggability 0.81
Structure
x-ray diffraction · 4 distinct chains · 41% helix, 31% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Integron cassette protein | protein | 114 | 39% helix, 28% strand | — |
| B | Integron cassette protein | protein | 105 | 42% helix, 33% strand | — |
| C | Integron cassette protein | protein | 107 | 42% helix, 31% strand | — |
| D | Integron cassette protein | protein | 112 | 39% helix, 32% strand | — |
Ligands and binding sites
- ACT · Acetate ion · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 222 | 0.81 | 0.94 | 28 | empty |
| 2 | 198 | 0.78 | 0.92 | 26 | ACT |
| 3 | 235 | 0.77 | 0.90 | 29 | ACT |
| 4 | 211 | 0.77 | 0.91 | 27 | empty |
| 5 | 216 | 0.53 | 0.77 | 30 | empty |
Interfaces
3 interfaces between chains.
- B–D · 1244 Ų buried · 11 hydrogen bonds · protein-protein
- A–C · 1147 Ų buried · 8 hydrogen bonds · protein-protein
- A–B · 354 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 3IMO · Structure from the mobile metagenome of Vibrio cholerae. Integron cassette protein… · 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 3IMO · PDBe 3IMO
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