MolNFT v1 · #123672 · protein
Crystal structure of herbaspirillum seropedicae reca
5JRJ · Protein reca: “Crystal structure of herbaspirillum seropedicae reca”. X-ray diffraction, 3 ligands (ADP, ATP, CA), 5 pockets (best druggability 0.51). MolNFT v1 #123672 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5JRJ
- Type
- protein
- Length
- 306 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Protein reca
- UniProt
- Q9F672
- Ligands
- ADP, ATP, CA
- Pockets
- 5 · best druggability 0.51
Structure
x-ray diffraction · 1 distinct chain · 41% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Protein reca | protein | 306 | 41% helix, 25% strand | Q9F672 |
Ligands and binding sites
- ADP · Adenosine-5'-diphosphate · ligand · chains A
- ATP · Adenosine-5'-triphosphate · ligand · chains A
- CA · Calcium ion · metal · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 185 | 0.51 | 0.78 | 24 | empty |
| 2 | 180 | 0.50 | 0.77 | 28 | ADP, ATP |
| 3 | 139 | 0.40 | 0.74 | 25 | empty |
| 4 | 54 | 0.33 | 0.77 | 17 | empty |
| 5 | 72 | 0.30 | 0.74 | 27 | empty |
Modifications
Observed in the structure: 1 covalent (covalent ligand).
Compared structures
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 Q9F672
- Elsewhere: RCSB PDB 5JRJ · PDBe 5JRJ · UniProt Q9F672
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