. 2006 Mar 10;2:23–34. doi: 10.2142/biophysics.2.23

Table 1.

S···O and S···N interactions observed in PLA₂-DG

PDB code	species	resoln^a	type	chain	ligands and prosthetic groups	S···O interactions				S···N interaction

						d_{S(C44)···O(D40)}^b	d_{S(C61)···O(A55)}^c	d_{S(C84)···O(C96)}^d	d_{S(C98)···O(F94)}^e	d_{S(M8)···N(R100)}
1BP2	bovine	1.7	WT	–	Ca²⁺, MPD^f	0.090	0.063	0.165	0.086	−0.025
1BPQ	bovine	1.8	K56M	–	Ca²⁺		−0.262	0.015	0.128	−0.066
1C74	bovine	1.9	K53M, K56M	A	Ca²⁺	0.113	−0.070	0.130	0.179	−0.020
1CEH	bovine	1.9	D99N	–	Ca²⁺	0.039	−0.153	0.094	0.092	−0.025
1FDK	bovine	1.96	WT	–	Ca²⁺, GLE^g		−0.214	0.069	0.156	−0.009
1G4I	bovine	0.97	WT	A	Ca²⁺, Cl^–, MPD^f	0.127	−0.018	0.117	0.099	−0.034
1GH4	bovine	1.9	K56M, K120M, K121M	A	Ca²⁺, MPD^f
1IRB	bovine	1.7	K120A, K121A	–	Ca²⁺	0.022	−0.003	0.172	0.091	0.186
1KVW	bovine	1.95	H48Q	–	Ca²⁺	0.006	0.052		0.191	0.181
1KVX	bovine	1.9	D99A	–	Ca²⁺	0.024	0.058	−0.070	0.088	0.120
1KVY	bovine	1.9	D49E	–	Ca²⁺	0.046	0.070	0.115	−0.059	0.096
1MKS	bovine	1.9	Y52F, Y73F, D99N	–	Ca²⁺	0.086	−0.176	0.065	0.184
1MKT	bovine	1.72	WT	–	Ca²⁺	0.022	0.014		0.136	0.098
1MKU	bovine	1.8	Y52F, Y73F, D99N	–	Ca²⁺	0.097	0.183	0.095	0.169
1MKV	bovine	1.89	WT	–	Ca²⁺, GEL^h	0.006	−0.090	0.096	0.167	0.148
1O3W	bovine	1.85	K53M, K56M, K120M	A	Ca²⁺, MPD^f	0.174	−0.221	0.115	0.134	0.025
2BPP	bovine	1.82	WT	–	Ca²⁺		−0.150	0.024	0.134	0.000
1FX9	porcine	2.0	WT	A	Ca²⁺, SO₄^2–, MJIⁱ	0.137	0.197	0.002	0.041	0.130
1FX9	porcine	2.0	WT	B	Ca²⁺, SO₄^2–, MJIⁱ			0.087		−0.256
1FXF	porcine	1.85	WT	A	Ca²⁺, PO₄^3–, MJIⁱ	0.086		−0.123	−0.016	0.060
1FXF	porcine	1.85	WT	B	Ca²⁺, PO₄^3–, MJIⁱ	0.120	0.193	0.031		−0.140
1HN4	porcine	1.4	WT	A	Ca²⁺, SO₄^2–, MJIⁱ	0.162	−0.237	0.154	0.024	−0.016
1HN4	porcine	1.4	WT	B	Ca²⁺, SO₄^2–, MJIⁱ	0.134	−0.020	0.110	0.027	−0.116
1KVO	human	2.0	engineered	A	Ca²⁺, OAP^j	0.053		0.048	−0.033
1KVO	human	2.0	engineered	B	Ca²⁺, OAP^j	−0.165			0.060
1LE6	human	1.97	engineered	A	Ca²⁺, MPD^f	0.089	0.003	0.134	−0.039	k
1LE6	human	1.97	engineered	B	Ca²⁺, MPD^f	0.131	0.036	−0.043	0.041	k

Only commonly observed interactions (d_S···X≤0.2 Å) are listed in the table. The values of d_S···X are given in Å. Empty columns mean that the corresponding values of d_S···X are more than 0.2 Å. The numbers in bold correspond to strong S···X interactions with d_S···X≤0.1 Å.

Resolution in Å.

d_{S(C44)···O(E40)} for pig, d_{S(C43)···O(A39)} for 1KVO, and d_{S(C42)···O(A38)} for 1LE6.

d_{S(C58)···O(A53)} for 1LE6.

d_{S(C77)···O(C88)} for 1KVO and d_{S(C76)···O(C88)} for 1LE6.

d_{S(C90)···O(Q86)} for 1KVO and d_{S(C90)···O(L86)} for 1LE6.

2-Methyl-2,4-pentanediol.

1-Hexadecyl-3-trifluoroethyl-sn-glycero-2-phosphomethanol.

1-O-Octyl-2-heptylphosphonyl-sn-glycero-3-phosphoethanolamine.

ⁱ

1-Hexadecyl-3-trifluoroethyl-sn-glycero-2-phosphate methane.

4-(S)-[(1-Oxo-7-phenylheptyl)amino]-5-[4-(phenylmethyl)phenylthio]pentanoic acid.

The corresponding Met residue is not present.