Research workbench
Crystal structure of the outer membrane transporter feca complexed with ferric citrate
Analyse Crystal structure of the outer membrane transporter feca complexed with ferric… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1KMP
- Type
- protein
- Length
- 647 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- IRON(III) dicitrate transport protein feca
- UniProt
- P13036
- Ligands
- FE
- Pockets
- 5 · best druggability 0.82
Structure
x-ray diffraction · 1 distinct chain · 5% helix, 55% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | IRON(III) dicitrate transport protein feca | protein | 647 | 5% helix, 55% strand | P13036 |
Ligands and binding sites
- FE · Fe (III) ion · metal · 2 copies · chains A
- LDA · Lauryl dimethylamine-N-oxide · additive · 16 copies · chains A
- CIT · Citric acid · additive · 2 copies · chains A
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 | 280 | 0.82 | 0.94 | 53 | empty |
| 2 | 651 | 0.81 | 0.86 | 89 | empty |
| 3 | 422 | 0.78 | 0.88 | 55 | FE, CIT |
| 4 | 737 | 0.72 | 0.78 | 63 | empty |
| 5 | 399 | 0.70 | 0.82 | 39 | empty |
Modifications
Observed in the structure: 14 modified (engineered).
Compared structures
- 1KMP · Crystal structure of the Outer Membrane Transporter FecA Complexed with Ferric Citrate · the same entry in another collection · chain A against A, TM-score 1.00
- P13036 · AlphaFold monomer V2.0 prediction for FE(3+) dicitrate transport protein feca (P13036) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 P13036
- Elsewhere: RCSB PDB 1KMP · PDBe 1KMP · UniProt P13036
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