MolNFT v1 · #123288 · protein
E. COLI ecfict mutant G55R in complex with ecfica
5JFF · Probable adenosine monophosphate-protein transferase fic: “E. COLI ecfict mutant G55R in complex with ecfica”. X-ray diffraction, 1 ligand (CL), 3 pockets (best druggability 0.73). MolNFT v1 #123288 on GenesisL1: 3D structure…
- PDB
- 5JFF
- Type
- protein
- Length
- 490 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Probable adenosine monophosphate-protein transferase fic; Uncharacterized protein yhfg
- EC
- 2.7.7.-
- UniProt
- P20605, P0ADX5
- Ligands
- CL
- Pockets
- 3 · best druggability 0.73
Structure
x-ray diffraction · 4 distinct chains · 58% helix, 5% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Probable adenosine monophosphate-protein transferase fic (EC 2.7.7.-) | protein | 188 | 55% helix, 6% strand | P20605 |
| B | Uncharacterized protein yhfg | protein | 51 | 69% helix, 0% strand | P0ADX5 |
| C | Probable adenosine monophosphate-protein transferase fic (EC 2.7.7.-) | protein | 186 | 55% helix, 6% strand | P20605 |
| D | Uncharacterized protein yhfg | protein | 65 | 66% helix, 0% strand | P0ADX5 |
Ligands and binding sites
- CL · Chloride ion · ion · 6 copies · chains A, B, C, D
- 144 · Tris-hydroxymethyl-methyl-ammonium · additive · chains A, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 454 | 0.73 | 0.83 | 45 | 144 |
| 2 | 317 | 0.63 | 0.80 | 38 | CL |
| 3 | 291 | 0.57 | 0.77 | 35 | CL |
Interfaces
3 interfaces between chains.
- A–B · 1704 Ų buried · 19 hydrogen bonds · protein-protein
- C–D · 1700 Ų buried · 19 hydrogen bonds · protein-protein
- A–C · 692 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 5JFF · E. coli EcFicT mutant G55R in complex with EcFicA · the same entry in another collection · chain D against D, TM-score 1.00
- P20605 · AlphaFold monomer V2.0 prediction for probable protein adenylyltransferase fic (P20605) · a predicted model of the same protein · chain A against A, TM-score 0.98
- P0ADX5 · AlphaFold monomer V2.0 prediction for uncharacterized protein yhfg (P0ADX5) · a predicted model of the same protein · chain B against A, TM-score 0.94
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 P20605
- Every structure of UniProt P0ADX5
- Elsewhere: RCSB PDB 5JFF · PDBe 5JFF · UniProt P20605 · UniProt P0ADX5
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