MolNFT v1 · #50448 · protein
Crystal structure of a putative 2,3,4,5-tetrahydropyridine-2- carboxylate N-succinyltransferase (CJ1605C, dapd) from campylobacter jejuni at 1.90 a resolution
2RIJ · Putative 2,3,4,5-tetrahydropyridine-2-carboxylate N…: “Crystal structure of a putative 2,3,4,5-tetrahydropyridine-2- carboxylate N-succinyltransferase (CJ1605C…”. X-ray diffraction, 1 ligand (CL), 1 pocket (best druggability 0.29).…
- PDB
- 2RIJ
- Type
- protein
- Length
- 381 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative 2,3,4,5-tetrahydropyridine-2-carboxylate N- succinyltransferase
- EC
- 2.3.1.117
- UniProt
- Q0P823
- Ligands
- CL
- Pockets
- 1 · best druggability 0.29
Structure
x-ray diffraction · 1 distinct chain · 26% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Putative 2,3,4,5-tetrahydropyridine-2-carboxylate N- succinyltransferase (EC 2.3.1.117) | protein | 381 | 26% helix, 24% strand | Q0P823 |
Ligands and binding sites
- CL · Chloride ion · ion · 2 copies · chains A
- CIT · Citric acid · additive · chains A
- GOL · Glycerol · 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 | 51 | 0.29 | 0.75 | 12 | empty |
Modifications
Observed in the structure: 9 modified (engineered).
Compared structures
- 2RIJ · Crystal structure of a putative 2,3,4,5-tetrahydropyridine-2-carboxylate… · the same entry in another collection · chain A against A, TM-score 1.00
- Q0P823 · AlphaFold monomer V2.0 prediction for 2,3,4,5-tetrahydropyridine-2,6-dicarboxylate… · a predicted model of the same protein · chain A against A, TM-score 0.98
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 Q0P823
- Elsewhere: RCSB PDB 2RIJ · PDBe 2RIJ · UniProt Q0P823
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