MolNFT v1 · #36055 · protein
Crystal structure of a putative FE(III) ABC transporter (TM0189) from thermotoga maritima MSB8 at 1.70 a resolution
2ETV · IRON(III) ABC transporter, periplasmic iron-binding…: “Crystal structure of a putative FE(III) ABC transporter (TM0189) from thermotoga maritima MSB8 at 1.70 a…”. X-ray diffraction, 3 ligands (NI, CL, PO4), 4 pockets (best…
- PDB
- 2ETV
- Type
- protein
- Length
- 677 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- IRON(III) ABC transporter, periplasmic iron-binding protein, putative
- Ligands
- NI, CL, PO4
- Pockets
- 4 · best druggability 0.65
Structure
x-ray diffraction · 2 distinct chains · 45% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | IRON(III) ABC transporter, periplasmic iron-binding protein, putative | protein | 341 | 45% helix, 16% strand | — |
| B | IRON(III) ABC transporter, periplasmic iron-binding protein, putative | protein | 336 | 46% helix, 15% strand | — |
Ligands and binding sites
- NI · Nickel (II) ion · metal · chains A
- CL · Chloride ion · ion · 2 copies · chains A, B
- PO4 · Phosphate ion · ion · chains A
- EDO · 1,2-ethanediol · additive · 19 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 695 | 0.65 | 0.74 | 69 | EDO |
| 2 | 220 | 0.53 | 0.77 | 29 | EDO |
| 3 | 311 | 0.53 | 0.74 | 26 | empty |
| 4 | 56 | 0.27 | 0.73 | 12 | EDO |
Interfaces
1 interface between chains.
- A–B · 273 Ų buried · 3 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 46 modified (methylation, engineered).
Compared structures
- 2ETV · Crystal structure of a putative fe(iii) abc transporter (tm0189) from thermotoga maritima… · 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
- Elsewhere: RCSB PDB 2ETV · PDBe 2ETV
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