Skip to main content

View full-text article in PMC

. 2003 Jan;84(1):171–184. doi: 10.1016/S0006-3495(03)74840-1

TABLE 3.

Hydrophobic contacts and hydrogen bonds between side chains of SDF-1α and CXCR4

Hydrophobic contacts
SDF-1α		CXCR4
Residue	Atom	Atom	Residue	Distance (Å)
Lys1	C	C^δ1	Ile284	3.81
Lys1	C^α	C^δ1	Ile284	4.57
Lys1	C^γ	C^δ	Gln200	4.80
Lys1	C^β	C^δ	Gln200	3.96
Lys1	C^γ	C^ɛ1	Phe201	4.77
Lys1	C^δ	C^ɛ1	Phe201	4.66
Lys1	C^γ	C^ζ	Phe201	4.66
Lys1	C^δ	C^ζ	Phe201	4.10
Lys1	C^ɛ	C^γ	Asp262	3.39
Pro2	C^δ	C^ɛ1	Tyr190	3.94
Pro2	C^δ	C^ζ	Tyr190	4.10
Pro2	C^α	C^δ1	Ile284	4.56
Val3	C^α	C^α	Asn278	4.66
Val3	C	C^γ	Asn278	4.30
Val3	C	C^α	Asn278	4.26
Val3	C	C^β	Asn278	4.32
Val3	C^β	C^γ	Gln272	4.76
Val3	C^α	C^β	Gln272	4.76
Val3	C^β	C^β	Gln272	3.55
Ser4	C^β	C^δ2	Phe189	4.76
Ser4	C^β	C^ɛ2	Phe189	4.62
Ser4	C	C^β	Glu277	4.88
Ser4	C^β	C^γ	Arg188	3.92
Ser4	C^α	C^γ	Arg188	3.91
Leu5	C^δ1	C^β	Cys28	4.34
Leu5	C^δ2	C^β	Cys28	4.31
Leu5	C^δ2	S^γ	Cys28	3.84
Leu5	C^δ2	C^ɛ	Lys271	3.53
Leu5	C^δ1	C^ɛ	Lys271	3.78
Leu5	C^δ2	C^δ	Lys271	3.76
Tyr7	C^ζ	C^β	Ser23	3.57
Tyr7	C^ɛ2	C^β	Ser23	3.36
Tyr7	C^δ2	C^β	Ser23	3.84
Tyr7	C^ɛ1	C^α	Asp22	3.68
Arg8	C^ζ	C	Asp20	3.79
Arg8	C^ζ	C^δ	Glu15	3.75
Arg8	C^δ	C^β	Asn11	3.56
Arg12	C^γ	C^δ1	Ile4	3.67
Arg12	C^ζ	C^α	Gly3	3.85
Phe13	C^ζ	C^γ1	Ile4	3.56
Phe13	C^ζ	C	Gly3	3.85
Phe13	C^δ2	C^γ	Glu15	3.83
Phe13	C^δ2	C^β	Glu15	3.80
Phe13	C^β	C	Met16	3.68

Hydrogen bonds
Donor		Acceptor
Residue	Group	Group	Residue	Distance (Å)
Lys1	N^ζH	O^δ2	Asp262	2.58
Lys1	N^ζH	O^δ1	Asp262	2.59
Lys1	NH	OH	Tyr116	2.95
Val3	NH	O^δ1	Asn278	2.83
Tyr7	OH	NH	Ser23	3.41
Tyr7	OH	O^δ2	Asp22	2.62
Arg8	NH1	O^δ2	Asp20	2.61
Arg8	NH2	O^ɛ2	Glu15	2.69
Arg8	NH1	O^ɛ1	Glu15	2.60
Arg8	NH1	O^ɛ2	Glu15	3.25
Arg12	N^ɛH	O^ɛ1	Glu15	2.66
Arg12	NH2	O^δ1	Asp20	2.59
Arg12	NH2	O^ɛ1	Glu15	3.04
Arg12	NH2	O	Thr13	2.69
Arg12	NH1	O	Asn11	2.65
Arg12	NH1	O^δ2	Asp10	2.64