8U4P

Structure of AMD3100-bound CXCR4/Gi complex

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Guanine nucleotide-binding protein G(i) subunit alpha-1	polymer	365	41591.3	1	UniProt (P63096) Pfam (PF00503) In PDB	Homo sapiens (human)	Adenylate cyclase-inhibiting G alpha protein
2	B	Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1	polymer	350	38534.1	1	UniProt (P62873) Pfam (PF00400) In PDB	Homo sapiens (human)	Transducin beta chain 1
3	C	Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2	polymer	71	7861.1	1	UniProt (P59768) Pfam (PF00631) In PDB	Homo sapiens (human)	G gamma-I
4	R	C-X-C chemokine receptor type 4	polymer	632	71063.6	1	UniProt (P61073) Pfam (PF12109) Pfam (PF00001) UniProt (by SIFTS) (P42212) In PDB	Homo sapiens (human)
5	R	CHOLESTEROL	non-polymer		386.7	1	Chemie (CLR)
6	R	Plerixafor	non-polymer		502.8	1	Chemie (VH6)

Sequence modifications

A: 2 - 354 (UniProt: P63096)

PDB	External Database	Details
Met -10	-	expression tag
His -9	-	expression tag
His -8	-	expression tag
His -7	-	expression tag
His -6	-	expression tag
His -5	-	expression tag
His -4	-	expression tag
Gly -3	-	expression tag
Gly -2	-	expression tag
Gly -1	-	expression tag
Gly 0	-	expression tag
Ser 1	-	expression tag
Cys 47	Ser 47	conflict
Thr 202	Gly 202	conflict
Ala 203	Gly 203	conflict
Ala 245	Glu 245	conflict
Ser 326	Ala 326	conflict

B: 2 - 340 (UniProt: P62873)

PDB	External Database	Details
Met -9	-	expression tag
His -8	-	expression tag
His -7	-	expression tag
His -6	-	expression tag
His -5	-	expression tag
His -4	-	expression tag
His -3	-	expression tag
Gly -2	-	expression tag
Ser -1	-	expression tag
Ser 0	-	expression tag
Gly 1	-	expression tag

R: 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: 353 - 614 (PDB: 8U4P)

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	159050.1
Non-Polymers*	Number of molecules	2
	Total formula weight	889.4
All*	Total formula weight	159939.6

*Water molecules are not included.