5LWE

Crystal structure of the human CC chemokine receptor type 9 (CCR9) in complex with vercirnon

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	C-C chemokine receptor type 9	polymer	331	37877.9	2	UniProt (P51686) Pfam (PF00001)	Homo sapiens (Human)	CCR-9,G-protein coupled receptor 28,GPR-9-6
2	C, U (A, B)	Vercirnon	non-polymer		444.9	2	Chemie (79K)
3	AA, BA, CA, D, DA... (B, A)	OLEIC ACID	non-polymer		282.5	28	Chemie (OLA)
4	S (A)	CHOLESTEROL	non-polymer		386.7	1	Chemie (CLR)
5	IA, T (B, A)	MALONATE ION	non-polymer		102.0	2	Chemie (MLI)
6	JA, KA (A, B)	water	water		18.0	52	Chemie (HOH)

Sequence modifications

A, B: 23 - 341 (UniProt: P51686)

PDB	External Database	Details
Ala 23	Ser 23	conflict
Glu 34	Thr 34	conflict
Ala 77	Thr 77	conflict
Ala 79	Val 79	conflict
Ala 82	Met 82	conflict
Cys 141	Ser 141	conflict
Ala 216	Thr 216	conflict
Ala 255	Val 255	conflict
Ala 294	Asn 294	conflict
Ala 304	Thr 304	conflict
Ala 337	Cys 337	conflict
Ala 342	-	expression tag
Ala 343	-	expression tag
His 344	-	expression tag
His 345	-	expression tag
His 346	-	expression tag
His 347	-	expression tag
His 348	-	expression tag
His 349	-	expression tag
His 350	-	expression tag
His 351	-	expression tag
His 352	-	expression tag
His 353	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	75755.8
Non-Polymers*	Number of molecules	33
	Total formula weight	9389.5
All*	Total formula weight	85145.3

*Water molecules are not included.