MolNFT v1 · #20823 · protein
Propionibacterium shermanii transcarboxylase 5S subunit bound to 2- ketobutyric acid
1RR2: “Propionibacterium shermanii transcarboxylase 5S subunit bound to 2- ketobutyric acid”. X-ray diffraction, 2 ligands (2KT, CO), 3 pockets (best druggability 0.68). MolNFT v1 #20823 on GenesisL1: 3D structure, binding sites and…
- PDB
- 1RR2
- Type
- protein
- Length
- 472 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Transcarboxylase 5S subunit
- EC
- 2.1.3.1
- Ligands
- 2KT, CO
- Pockets
- 3 · best druggability 0.68
Structure
x-ray diffraction · 1 distinct chain · 50% helix, 10% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Transcarboxylase 5S subunit (EC 2.1.3.1) | protein | 472 | 50% helix, 10% strand | — |
Ligands and binding sites
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 | 566 | 0.68 | 0.78 | 54 | 2KT |
| 2 | 92 | 0.42 | 0.78 | 16 | empty |
| 3 | 77 | 0.41 | 0.79 | 21 | empty |
Modifications
Observed in the structure: 1 modified (carboxylation).
Compared structures
- 1RR2 · Propionibacterium shermanii transcarboxylase 5S subunit bound to 2-ketobutyric acid · 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 1RR2 · PDBe 1RR2
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