MolNFT v1 · #67257 · protein
Structure from the mobile metagenome of north west arm sewage outfall: integron cassette protein HFX_CASS5
3IF4: “Structure from the mobile metagenome of north west arm sewage outfall: integron cassette protein HFX_CASS5”. X-ray diffraction, 4 pockets (best druggability 0.57). MolNFT v1 #67257 on GenesisL1: 3D structure, binding sites and…
- PDB
- 3IF4
- Type
- protein
- Length
- 399 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Integron cassette protein HFX_CASS5
- Pockets
- 4 · best druggability 0.57
Structure
x-ray diffraction · 2 distinct chains · 32% helix, 27% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, D | Integron cassette protein HFX_CASS5 | protein | 100 | 30% helix, 27% strand | — |
| C | Integron cassette protein HFX_CASS5 | protein | 99 | 33% helix, 27% strand | — |
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 279 | 0.57 | 0.77 | 41 | empty |
| 2 | 247 | 0.55 | 0.77 | 29 | empty |
| 3 | 106 | 0.47 | 0.80 | 21 | empty |
| 4 | 115 | 0.41 | 0.76 | 24 | empty |
Interfaces
6 interfaces between chains.
- B–D · 2781 Ų buried · 34 hydrogen bonds · protein-protein
- A–C · 2728 Ų buried · 31 hydrogen bonds · protein-protein
- A–B · 401 Ų buried · 2 hydrogen bonds · protein-protein
- C–D · 386 Ų buried · 2 hydrogen bonds · protein-protein
- B–C · 345 Ų buried · 4 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 modified (engineered).
Compared structures
- 3IF4 · Structure from the mobile metagenome of North West Arm Sewage Outfall: Integron Cassette… · 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 3IF4 · PDBe 3IF4
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