MolNFT v1 · #178171 · protein
Crystal structure of metal-citrate-binding mutant (Y221A) protein (mcta) of ABC transporter in apo state
7F6U · Iron ABC transporter, periplasmic iron-binding protein: “Crystal structure of metal-citrate-binding mutant (Y221A) protein (mcta) of ABC transporter in apo state”. X-ray diffraction, 5 ligands (BGQ, 1MI, NA), 1 pocket (best…
- PDB
- 7F6U
- Type
- protein
- Length
- 339 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
- BGQ, 1MI, NA, SO4, CO2
- Pockets
- 1 · best druggability 0.56
Structure
x-ray diffraction · 1 distinct chain · 48% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Iron ABC transporter, periplasmic iron-binding protein | protein | 339 | 48% helix, 17% strand | Q53VZ2 |
Ligands and binding sites
- BGQ · 2-hydroxy butane-1,4-diol · ligand · chains A
- 1MI · 2-(hydroxymethyl)butane-1,4-diol · ligand · chains A
- NA · Sodium ion · metal · 2 copies · chains A
- SO4 · Sulfate ion · ion · chains A
- CO2 · Carbon dioxide · ion · chains A
- EDO · 1,2-ethanediol · additive · 4 copies · chains A
- PEG · Di(hydroxyethyl)ether · additive · chains A
- CAC · Cacodylate ion · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 244 | 0.56 | 0.77 | 27 | PEG, CAC |
Compared structures
- 7F6U · Crystal structure of metal-citrate-binding mutant (Y221A) 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 7F6U · PDBe 7F6U · UniProt Q53VZ2
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