Research workbench
Fhua from E. COLI in complex with the lasso peptide microcin J25 (MCCJ25)
Analyse Fhua from E. COLI in complex with the lasso peptide microcin J25 (MCCJ25) in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4CU4
- Type
- protein
- Length
- 714 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Ferrichrome-iron receptor; Microcin J25
- UniProt
- P06971, Q9X2V7
- Ligands
- FTT, DPO, PA1, DAO, MYR, 3PH, KDO, GMH, GCS, PO4
- Pockets
- 7 · best druggability 0.87
Structure
x-ray diffraction · 2 distinct chains · 7% helix, 57% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Ferrichrome-iron receptor | protein | 693 | 7% helix, 58% strand | P06971 |
| B | Microcin J25 | protein | 21 | 0% helix, 33% strand | Q9X2V7 |
Ligands and binding sites
- FTT · 3-hydroxy-tetradecanoic acid · ligand · 4 copies · chains A
- DPO · Diphosphate · ligand · 2 copies · chains A
- PA1 · 2-amino-2-deoxy-alpha-D-glucopyranose · ligand · chains A
- DAO · Lauric acid · ligand · chains A
- MYR · Myristic acid · ligand · chains A
- 3PH · 1,2-diacyl-glycerol-3-sn-phosphate · ligand · chains A
- KDO · 3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid · sugar · 2 copies · chains A
- GMH · L-glycero-alpha-D-manno-heptopyranose · sugar · 2 copies · chains A
- GCS · 2-amino-2-deoxy-beta-D-glucopyranose · sugar · chains A
- PO4 · Phosphate ion · ion · 2 copies · chains A
- LDA · Lauryl dimethylamine-N-oxide · additive · 20 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 547 | 0.87 | 0.93 | 95 | empty |
| 2 | 631 | 0.85 | 0.90 | 68 | empty |
| 3 | 484 | 0.80 | 0.88 | 63 | empty |
| 4 | 52 | 0.71 | 0.99 | 24 | empty |
| 5 | 93 | 0.69 | 0.93 | 31 | empty |
Interfaces
1 interface between chains.
- A–B · 1103 Ų buried · 6 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 4CU4 · FhuA from E. coli in complex with the lasso peptide microcin J25 (MccJ25) · the same entry in another collection · chain A against A, TM-score 1.00
- P06971 · AlphaFold monomer V2.0 prediction for ferrichrome outer membrane TRANSPORTER/PHAGE… · a predicted model of the same protein · chain A against A, TM-score 0.99
- Q9X2V7 · AlphaFold monomer V2.0 prediction for microcin J25 (Q9X2V7) · a predicted model of the same protein · chain B against A, TM-score 0.18
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 P06971
- Every structure of UniProt Q9X2V7
- Elsewhere: RCSB PDB 4CU4 · PDBe 4CU4 · UniProt P06971 · UniProt Q9X2V7
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