MolNFT v1 · #121752 · protein
Contact-dependent inhibition system from escherichia COLI NC101 - ternary CDIA/CDII/EF-tu complex (domains 2 and 3)
5I4Q · Contact-dependent inhibitor a: “Contact-dependent inhibition system from escherichia COLI NC101 - ternary CDIA/CDII/EF-tu complex (domains 2…”. X-ray diffraction, 2 ligands (CL, SO4), 4 pockets (best druggability 0.60). MolNFT v1…
- PDB
- 5I4Q
- Type
- protein
- Length
- 381 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Contact-dependent inhibitor a; Contact-dependent inhibitor I; Elongation factor tu
- UniProt
- J7R9V6
- Ligands
- CL, SO4
- Pockets
- 4 · best druggability 0.60
Structure
x-ray diffraction · 3 distinct chains · 28% helix, 36% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Contact-dependent inhibitor a | protein | 88 | 20% helix, 39% strand | — |
| B | Contact-dependent inhibitor I | protein | 107 | 76% helix, 0% strand | — |
| C | Elongation factor tu | protein | 186 | 3% helix, 56% strand | J7R9V6 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 116 | 0.60 | 0.86 | 20 | empty |
| 2 | 159 | 0.50 | 0.78 | 22 | empty |
| 3 | 92 | 0.36 | 0.75 | 20 | empty |
| 4 | 82 | 0.31 | 0.73 | 22 | empty |
Interfaces
3 interfaces between chains.
- A–C · 1029 Ų buried · 14 hydrogen bonds · protein-protein
- A–B · 853 Ų buried · 12 hydrogen bonds · protein-protein
- B–C · 299 Ų buried · 7 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 modified (engineered).
Compared structures
- 5I4Q · Contact-dependent inhibition system from Escherichia coli NC101 - ternary CdiA/CdiI/EF-Tu… · 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
- Every structure of UniProt J7R9V6
- Elsewhere: RCSB PDB 5I4Q · PDBe 5I4Q · UniProt J7R9V6
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