MolNFT v1 · #144701 · protein
Crystal structure of human C5A receptor in complex with an orthosteric antagonist PMX53 and an allosteric antagonist NDT9513727
6C1Q: “Crystal structure of human C5A receptor in complex with an orthosteric antagonist PMX53 and an allosteric…”. X-ray diffraction, 2 ligands (ACE, 9P2). MolNFT v1 #144701 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6C1Q
- Type
- protein
- Length
- 380 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- UniProt
- P0ABE7, P21730
- Ligands
- ACE, 9P2
Structure
x-ray diffraction · 2 distinct chains.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B | — | protein | 374 | — | P0ABE7, P21730 |
| L | — | protein | 6 | — | — |
Ligands and binding sites
- ACE · Acetyl group · ligand · chains B, L
- 9P2 · 1-(1,3-benzodioxol-5-yl)-~{N}-(1,3-benzodioxol-5-ylmethyl)-~{N}-[(3-butyl-2,5-diphenyl-imidazol-4-yl) methyl]methanamine · ligand · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- 6C1Q · Crystal structure of human C5a receptor in complex with an orthosteric antagonist PMX53… · the same entry in another collection · chain B against B, TM-score 1.00
- P21730 · AlphaFold monomer V2.0 prediction for C5A anaphylatoxin chemotactic receptor 1 (P21730) · a predicted model of the same protein · chain B 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 B against A, TM-score 0.24
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 P0ABE7
- Every structure of UniProt P21730
- Elsewhere: RCSB PDB 6C1Q · PDBe 6C1Q · UniProt P0ABE7 · UniProt P21730
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