5O9H

Crystal structure of thermostabilised human C5a anaphylatoxin chemotactic receptor 1 (C5aR) in complex with NDT9513727

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	C5a anaphylatoxin chemotactic receptor 1	polymer	317	35742.4	2	UniProt (P21730) Pfam (PF00001) In PDB	Homo sapiens (Human)	C5a anaphylatoxin chemotactic receptor,C5aR
2	A, B	1-(1,3-benzodioxol-5-yl)-~{N}-(1,3-benzodioxol-5-ylmethyl)-~{N}-[(3-butyl-2,5-diphenyl-imidazol-4-yl)methyl]methanamine	non-polymer		573.7	2	Chemie (9P2)
3	A, B	L(+)-TARTARIC ACID	non-polymer		150.1	3	Chemie (TLA)
4	B, A	OLEIC ACID	non-polymer		282.5	32	Chemie (OLA)
5	B	CITRIC ACID	non-polymer		192.1	1	Chemie (CIT)
6		water	water		18.0	71	Chemie (HOH)

Sequence modifications

A, B: 31 - 333 (UniProt: P21730)

PDB	External Database	Details
Met 30	-	initiating methionine
Ala 85	Ser 85	engineered mutation
Ala 91	Ile 91	engineered mutation
Ala 142	Ile 142	engineered mutation
Arg 146	Asn 146	engineered mutation
Leu 156	Ala 156	engineered mutation
Ala 172	Phe 172	engineered mutation
Ala 232	Arg 232	engineered mutation
Glu 234	Ala 234	engineered mutation
Glu 311	Leu 311	engineered mutation
Glu 317	Ser 317	engineered mutation
Glu 321	Asn 321	engineered mutation
Ala 334	-	expression tag
Ala 335	-	expression tag
Ala 336	-	expression tag
His 337	-	expression tag
His 338	-	expression tag
His 339	-	expression tag
His 340	-	expression tag
His 341	-	expression tag
His 342	-	expression tag
His 343	-	expression tag
His 344	-	expression tag
His 345	-	expression tag
His 346	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	71484.9
Non-Polymers*	Number of molecules	38
	Total formula weight	10828.5
All*	Total formula weight	82313.4

*Water molecules are not included.