MolNFT v1 · #12627 · protein
Crystal structure of the outer membrane transporter feca
1KMO · IRON(III) dicitrate transport protein feca: “Crystal structure of the outer membrane transporter feca”. X-ray diffraction, 1 ligand (HTO), 7 pockets (best druggability 0.82). MolNFT v1 #12627 on GenesisL1: 3D structure, binding…
- PDB
- 1KMO
- Type
- protein
- Length
- 661 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
- HTO
- Pockets
- 7 · best druggability 0.82
Structure
x-ray diffraction · 1 distinct chain · 7% helix, 54% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | IRON(III) dicitrate transport protein feca | protein | 661 | 7% helix, 54% strand | P13036 |
Ligands and binding sites
- HTO · Heptane-1,2,3-triol · ligand · 2 copies · chains A
- LDA · Lauryl dimethylamine-N-oxide · additive · 17 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, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 187 | 0.82 | 0.97 | 46 | empty |
| 2 | 176 | 0.79 | 0.95 | 37 | empty |
| 3 | 567 | 0.75 | 0.82 | 67 | empty |
| 4 | 568 | 0.74 | 0.82 | 65 | empty |
| 5 | 314 | 0.73 | 0.86 | 37 | empty |
Compared structures
- 1KMO · Crystal structure of the Outer Membrane Transporter FecA · 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 0.98
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 1KMO · PDBe 1KMO · UniProt P13036
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