MolNFT v1 · #178167 · protein
Crystal structure of metal-citrate-binding mutant (S79A) protein (mcta) of ABC transporter in apo state
7F6Q · Iron ABC transporter, periplasmic iron-binding protein: “Crystal structure of metal-citrate-binding mutant (S79A) protein (mcta) of ABC transporter in apo state”. X-ray diffraction, 3 ligands (SO2, CL, CO2), 3 pockets (best…
- PDB
- 7F6Q
- Type
- protein
- Length
- 338 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Iron ABC transporter, periplasmic iron-binding protein
- UniProt
- Q53VZ2
- Ligands
- SO2, CL, CO2
- Pockets
- 3 · best druggability 0.61
Structure
x-ray diffraction · 1 distinct chain · 47% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Iron ABC transporter, periplasmic iron-binding protein | protein | 338 | 47% helix, 18% strand | Q53VZ2 |
Ligands and binding sites
- SO2 · Sulfur dioxide · ligand · chains A
- CL · Chloride ion · ion · 4 copies · chains A
- CO2 · Carbon dioxide · ion · chains A
- EDO · 1,2-ethanediol · additive · 4 copies · chains A
- PDO · 1,3-propandiol · additive · 2 copies · chains A
- ACT · Acetate ion · additive · chains A
- PEG · Di(hydroxyethyl)ether · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 217 | 0.61 | 0.81 | 26 | CL, PEG |
| 2 | 70 | 0.41 | 0.80 | 13 | empty |
| 3 | 52 | 0.35 | 0.79 | 14 | empty |
Compared structures
- 7F6Q · Crystal structure of metal-citrate-binding mutant (S79A) protein (MctA) of ABC… · the same entry in another collection · chain A against A, 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 Q53VZ2
- Elsewhere: RCSB PDB 7F6Q · PDBe 7F6Q · UniProt Q53VZ2
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