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Ligands
Code Name Style Show Link
9P2 1-(1,3-benzodioxol-5-yl)-~{N}-(1,3-benzodioxol-5-ylmethyl)-~{N}-[(3-butyl-2,5-diphenyl-imidazol-4-yl)methyl]methanamine
Non-standard Residues
Code Name Show
ORN L-ornithine
YCM S-(2-amino-2-oxoethyl)-L-cysteine
ZAL 3-cyclohexyl-D-alanine
Glycosylation
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Modification
Code Name Show
ACE Acetyl group
Code : 6C1Q   PDBj   RCSB PDB   PDBe
Header : MEMBRANE PROTEIN
Title : Crystal structure of human C5a receptor in complex with an orthosteric antagonist PMX53 and an allosteric antagonist NDT9513727
Release Data : 2018-05-30
Compound :
mol_id molecule chains synonym
1 Soluble cytochrome b562, C5a anaphylatoxin chemotactic receptor 1 chimera B Cytochrome b-562,C5a anaphylatoxin chemotactic receptor, C5aR
fragment: cytochrome (UNP residues 23-127) + C5a receptor (UNP residues 30-331)
mutation: M29W, H124I, R128L
mol_id molecule chains
2 PMX53 L
Source :
mol_id organism_scientific organism_common expression_system
1 Homo sapiens  (taxid:9606) Human Spodoptera frugiperda  (taxid:7108)
gene: C5AR1, C5AR, C5R1
expression_system_common: Fall armyworm
expression_system_strain: SF9
expression_system_vector_type: baculovirus
expression_system_plasmid: pFastbac
mol_id organism_scientific
2 Synthetic construct  (taxid:32630)
synthetic: yes
Authors : Liu, H., Wang, L., Wei, Z., Zhang, C.
Keywords : GPCR, MEMBRANE PROTEIN
Exp. method : X-RAY DIFFRACTION ( 2.9000 Å )
Citation :

Orthosteric and allosteric action of the C5a receptor antagonists.

Liu, H.,Kim, H.R.,Deepak, R.N.V.K.  et al.
(2018)  Nat. Struct. Mol. Biol.  25 : 472 - 481

PubMed: 29867214
DOI: 10.1038/s41594-018-0067-z

Chain : B
UniProt : P0ABE7 (C562_ECOLX)
Reaction : -
Chain : B
UniProt : P21730 (C5AR1_HUMAN)
Reaction : -