MolNFT v1 · #103351 · protein
Crystal structure of a trap periplasmic solute binding protein from rhodobacter sphaeroides (RSPH17029_3620, target efi-510199), apo open structure
4PE3 · Trap dicarboxylate transporter-dctp subunit: “Crystal structure of a trap periplasmic solute binding protein from rhodobacter sphaeroides (RSPH17029_3620…”. X-ray diffraction, 1 ligand (ZN), 1 pocket (best druggability 0.48). MolNFT…
- PDB
- 4PE3
- Type
- protein
- Length
- 315 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Trap dicarboxylate transporter-dctp subunit
- UniProt
- A3PQU4
- Ligands
- ZN
- Pockets
- 1 · best druggability 0.48
Structure
x-ray diffraction · 1 distinct chain · 52% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Trap dicarboxylate transporter-dctp subunit | protein | 315 | 52% helix, 14% strand | A3PQU4 |
Ligands and binding sites
- ZN · Zinc ion · metal · 10 copies · chains A
- IMD · Imidazole · additive · 2 copies · chains A
- EDO · 1,2-ethanediol · additive · chains A
- ACT · Acetate 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, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 251 | 0.48 | 0.74 | 40 | empty |
Modifications
Observed in the structure: 7 modified (engineered).
Compared structures
- 4PE3 · CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM RHODOBACTER… · 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 A3PQU4
- Elsewhere: RCSB PDB 4PE3 · PDBe 4PE3 · UniProt A3PQU4
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