MolNFT v1 · #57251 · protein
Crystal structue of the cytosolic domain of T. maritima feob iron iransporter in gmppnp form
3A1U · IRON(II) transport protein B: “Crystal structue of the cytosolic domain of T. maritima feob iron iransporter in gmppnp form”. X-ray diffraction, 2 ligands (GNP, MG), 3 pockets (best druggability 0.79). MolNFT v1 #57251 on GenesisL1…
- 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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