MolNFT v1 · #149690 · protein
Trichodesmium TERY_3377 (idia) (futa) in complex with iron and citrate ligands.
6G7Q · Extracellular solute-binding protein, family 1: “Trichodesmium TERY_3377 (idia) (futa) in complex with iron and citrate ligands.”. X-ray diffraction, 2 ligands (FE, CL), 4 pockets (best druggability 0.67). MolNFT v1 #149690 on…
- PDB
- 6G7Q
- Type
- protein
- Length
- 634 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Extracellular solute-binding protein, family 1
- UniProt
- Q10Z45
- Ligands
- FE, CL
- Pockets
- 4 · best druggability 0.67
Structure
x-ray diffraction · 2 distinct chains · 47% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B | Extracellular solute-binding protein, family 1 | protein | 316 | 47% helix, 18% strand | Q10Z45 |
| A | Extracellular solute-binding protein, family 1 | protein | 318 | 47% helix, 18% strand | Q10Z45 |
Ligands and binding sites
- FE · Fe (III) ion · metal · chains A
- CL · Chloride ion · ion · 2 copies · chains B, A
- GOL · Glycerol · additive · 4 copies · chains B, A
- FLC · Citrate anion · additive · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 597 | 0.67 | 0.77 | 68 | empty |
| 2 | 253 | 0.59 | 0.79 | 33 | CL |
| 3 | 126 | 0.39 | 0.75 | 26 | FE, FLC |
| 4 | 53 | 0.29 | 0.76 | 18 | empty |
Interfaces
1 interface between chains.
- B–A · 811 Ų buried · 12 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 covalent (additive adduct).
Compared structures
- 6G7Q · Trichodesmium Tery_3377 (IdiA) (FutA) in complex with iron and citrate ligands. · the same entry in another collection · chain B against B, 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 Q10Z45
- Elsewhere: RCSB PDB 6G7Q · PDBe 6G7Q · UniProt Q10Z45
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