MolNFT v1 · #94913 · protein
Crystal structure of the chimeric protein of 5-HT1B-bril in complex with ergotamine (psi community target)
4IAR · Chimera protein of human 5-hydroxytryptamine receptor 1B…: “Crystal structure of the chimeric protein of 5-HT1B-bril in complex with ergotamine (psi community target)”. X-ray diffraction, 2 ligands (ERM, OLB), 4 pockets (best…
- PDB
- 4IAR
- Type
- protein
- Length
- 379 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Chimera protein of human 5-hydroxytryptamine receptor 1B and E. COLI soluble cytochrome…
- UniProt
- P28222, P0ABE7
- Ligands
- ERM, OLB
- Pockets
- 4 · best druggability 0.78
Structure
x-ray diffraction · 1 distinct chain · 80% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Chimera protein of human 5-hydroxytryptamine receptor 1B and E. COLI soluble cytochrome B562 | protein | 379 | 80% helix, 0% strand | P28222, P0ABE7 |
Ligands and binding sites
- ERM · Ergotamine · ligand · chains A
- OLB · (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 468 | 0.78 | 0.86 | 40 | ERM |
| 2 | 397 | 0.62 | 0.77 | 46 | empty |
| 3 | 86 | 0.47 | 0.81 | 15 | empty |
| 4 | 95 | 0.39 | 0.76 | 15 | empty |
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
- 4IAR · Crystal structure of the chimeric protein of 5-HT1B-BRIL in complex with ergotamine (PSI… · the same entry in another collection · chain A against A, TM-score 1.00
- P28222 · AlphaFold monomer V2.0 prediction for 5-hydroxytryptamine receptor 1B (P28222) · a predicted model of the same protein · chain A against A, TM-score 0.77
- P0ABE7 · AlphaFold monomer V2.0 prediction for soluble cytochrome B562 (P0ABE7) · a predicted model of the same protein · chain A against A, TM-score 0.28
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 P28222
- Every structure of UniProt P0ABE7
- Elsewhere: RCSB PDB 4IAR · PDBe 4IAR · UniProt P28222 · UniProt P0ABE7
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