MolNFT v1 · #104645 · protein
Crystal structure of the R132K:R111L:L121E mutant of cellular retinoic acid binding proteinii complexed with a synthetic ligand (merocyanine) at 1.47 ångström resolution
4QGX · Cellular retinoic acid-binding protein 2: “Crystal structure of the R132K:R111L:L121E mutant of cellular retinoic acid binding proteinii complexed with…”. X-ray diffraction, 1 ligand (LMC), 2 pockets (best druggability 0.76). MolNFT…
- PDB
- 4QGX
- Type
- protein
- Length
- 274 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cellular retinoic acid-binding protein 2
- UniProt
- P29373
- Ligands
- LMC
- Pockets
- 2 · best druggability 0.76
Structure
x-ray diffraction · 1 distinct chain · 12% helix, 55% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Cellular retinoic acid-binding protein 2 | protein | 137 | 12% helix, 55% strand | P29373 |
Ligands and binding sites
- LMC · (2E,4E,6E)-3-methyl-6-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)hexa-2,4-dienal · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 937 | 0.76 | 0.79 | 77 | empty |
| 2 | 485 | 0.75 | 0.83 | 46 | LMC |
Interfaces
1 interface between chains.
- A–B · 85 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 covalent (covalent ligand).
Compared structures
- 4QGX · Crystal structure of the R132K:R111L:L121E mutant of Cellular Retinoic Acid Binding… · 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 P29373
- Elsewhere: RCSB PDB 4QGX · PDBe 4QGX · UniProt P29373
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