8U4S

Structure of trimeric CXCR4 in complex with REGN7663 Fab

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, D, G (L, A, E)	REGN7663 Fab light chain	polymer	219	24185.9	3		Homo sapiens (human)
2	B, E, H (H, B, F)	REGN7663 Fab heavy chain	polymer	240	25799.9	3		Homo sapiens (human)
3	C, F, I (R, C, G)	C-X-C chemokine receptor type 4	polymer	632	71063.6	3	UniProt (P61073) Pfam (PF12109) Pfam (PF00001) UniProt (by SIFTS) (P42212)	Homo sapiens (human)
4	J, L, M, O, P... (R, C, G)	CHOLESTEROL	non-polymer		386.7	6	Chemie (CLR)
5	K, N, Q (R, C, G)	(2R)-1-(hexadecanoyloxy)-3-(phosphonooxy)propan-2-yl (9Z)-octadec-9-enoate	non-polymer		674.9	3	Chemie (D21)

Sequence modifications

R, C, G: 2 - 352 (UniProt: P61073)

PDB	External Database	Details
Met -17	-	initiating methionine
Lys -16	-	expression tag
Thr -15	-	expression tag
Ile -14	-	expression tag
Ile -13	-	expression tag
Ala -12	-	expression tag
Leu -11	-	expression tag
Ser -10	-	expression tag
Tyr -9	-	expression tag
Ile -8	-	expression tag
Phe -7	-	expression tag
Cys -6	-	expression tag
Leu -5	-	expression tag
Val -4	-	expression tag
Phe -3	-	expression tag
Ala -2	-	expression tag
Gly -1	-	expression tag
Ala 0	-	expression tag
Pro 1	-	expression tag
Ser 119	Asn 119	conflict

R, C, G: 353 - 614 (PDB: 8U4S)

Contents of the asymmetric unit

Polymers	Number of chains	9
	Total formula weight	363148.3
Non-Polymers*	Number of molecules	9
	Total formula weight	4344.7
All*	Total formula weight	367493.1

*Water molecules are not included.