MolNFT v1 · #90930 · protein
Crystal structure of solute binding protein of ABC transporter from rhodopseudomonas palustris BISB5 in complex with vanillic acid
4EYG · Twin-arginine translocation pathway signal: “Crystal structure of solute binding protein of ABC transporter from rhodopseudomonas palustris BISB5 in…”. X-ray diffraction, 1 ligand (VNL), 3 pockets (best druggability 0.68). MolNFT v1…
- PDB
- 4EYG
- Type
- protein
- Length
- 727 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Twin-arginine translocation pathway signal
- UniProt
- Q13AR6
- Ligands
- VNL
- Pockets
- 3 · best druggability 0.68
Structure
x-ray diffraction · 2 distinct chains · 42% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Twin-arginine translocation pathway signal | protein | 363 | 42% helix, 26% strand | Q13AR6 |
| B | Twin-arginine translocation pathway signal | protein | 364 | 43% helix, 26% strand | Q13AR6 |
Ligands and binding sites
- VNL · 4-hydroxy-3-methoxybenzoate · ligand · 2 copies · chains A, B
- EDO · 1,2-ethanediol · additive · 2 copies · chains A, B
- IPA · Isopropyl alcohol · 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, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 776 | 0.68 | 0.75 | 64 | empty |
| 2 | 61 | 0.30 | 0.75 | 14 | empty |
| 3 | 61 | 0.30 | 0.75 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 560 Ų buried · 1 hydrogen bond · protein-protein
Modifications
Observed in the structure: 24 modified (engineered).
Compared structures
- 4EYG · Crystal structure of solute binding protein of ABC transporter from Rhodopseudomonas… · 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 Q13AR6
- Elsewhere: RCSB PDB 4EYG · PDBe 4EYG · UniProt Q13AR6
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