MolNFT v1 · #136929 · protein
CECR2 in complex with CPD6 (6-allyl-N,2-dimethyl-7-oxo-N-(1-(1- PHENYLETHYL)PIPERIDIN-4-yl)-6,7-dihydro-1H-PYRROLO[2,3-C]PYRIDINE-4- carboxamide)
5V84: “CECR2 in complex with CPD6 (6-allyl-N,2-dimethyl-7-oxo-N-(1-(1…”. X-ray diffraction, 2 ligands (96V, SO4). MolNFT v1 #136929 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5V84
- Type
- protein
- Length
- 406 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- UniProt
- Q9BXF3
- Ligands
- 96V, SO4
Structure
x-ray diffraction · 2 distinct chains.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | — | protein | 102 | — | Q9BXF3 |
| B, D | — | protein | 101 | — | Q9BXF3 |
Ligands and binding sites
- 96V · N,2-dimethyl-7-oxo-N-{1-[(1S)-1-phenylethyl]piperidin-4-yl}-6-(prop-2-en-1-yl)-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine-4-carboxamide · ligand · 4 copies · chains A, D, B, C
- SO4 · Sulfate ion · ion · 2 copies · chains A, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- 5V84 · CECR2 in complex with Cpd6 (6-allyl-N,2-dimethyl-7-oxo-N-(1-(1-phenylethyl)piperidin-4-yl)… · the same entry in another collection · chain D against D, TM-score 1.00
- Q9BXF3 · AlphaFold monomer V2.0 prediction for cat eye syndrome critical region protein 2 (Q9BXF3) · a predicted model of the same protein · chain B against A, TM-score 0.99
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 Q9BXF3
- Elsewhere: RCSB PDB 5V84 · PDBe 5V84 · UniProt Q9BXF3
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