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Crystal structue of the cytosolic domain of T. maritima feob iron iransporter in gmppnp form
Analyse Crystal structue of the cytosolic domain of T. maritima feob iron iransporter… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3A1U
- Type
- protein
- Length
- 498 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- IRON(II) transport protein B
- UniProt
- Q9WXQ8
- Ligands
- GNP, MG
- Pockets
- 3 · best druggability 0.79
Structure
x-ray diffraction · 2 distinct chains · 46% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | IRON(II) transport protein B | protein | 252 | 45% helix, 17% strand | Q9WXQ8 |
| B | IRON(II) transport protein B | protein | 246 | 47% helix, 16% strand | Q9WXQ8 |
Ligands and binding sites
- GNP · Phosphoaminophosphonic acid-guanylate ester · ligand · 2 copies · chains A, B
- MG · Magnesium ion · metal · 3 copies · chains A, B
- MRD · (4R)-2-methylpentane-2,4-diol · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1127 | 0.79 | 0.81 | 101 | GNP, MG |
| 2 | 130 | 0.54 | 0.82 | 23 | empty |
| 3 | 71 | 0.39 | 0.78 | 11 | empty |
Interfaces
1 interface between chains.
- A–B · 536 Ų buried · 7 hydrogen bonds · protein-protein
Compared structures
- 3A1U · Crystal structue of the cytosolic domain of T. maritima FeoB iron iransporter in GMPPNP… · 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 Q9WXQ8
- Elsewhere: RCSB PDB 3A1U · PDBe 3A1U · UniProt Q9WXQ8
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