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Summary Geometry PCM/PTM Related PDB entries

MYQ

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
S	C2	sing	1.81Å	1.80Å
S	AU	sing	2.29Å	2.50Å
O1	C1	doub	1.21Å	1.30Å
O2	C1	sing	1.33Å	1.30Å
O2	HO2	sing	0.88Å	0.95Å
O3	C4	sing	1.32Å	1.26Å
O3	HO3	sing	0.88Å	0.95Å
O4	C4	doub	1.22Å	1.33Å
C1	C2	sing	1.52Å	1.49Å
C2	C3	sing	1.51Å	1.53Å
C2	H2	sing	0.98Å	1.10Å
C3	C4	sing	1.51Å	1.52Å
C3	H31	sing	0.98Å	1.10Å
C3	H32	sing	0.98Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	S	AU	113.2°	109.5°
S	C2	C1	128.5°	109.2°
S	C2	C3	108.3°	110.3°
S	C2	H2	96.5°	107.9°
O1	C1	O2	115.9°	120.1°
O1	C1	C2	121.3°	121.3°
C1	O2	HO2	109.5°	117.1°
O2	C1	C2	122.7°	118.6°
C4	O3	HO3	109.5°	116.3°
O3	C4	O4	119.8°	122.0°
O3	C4	C3	117.7°	117.7°
O4	C4	C3	122.5°	120.3°
C1	C2	C3	113.8°	112.5°
C1	C2	H2	87.4°	108.3°
C3	C2	H2	119.9°	108.6°
C2	C3	C4	121.2°	113.5°
C2	C3	H31	103.0°	109.4°
C2	C3	H32	105.7°	109.1°
C4	C3	H31	103.0°	108.7°
C4	C3	H32	105.7°	108.4°
H31	C3	H32	119.2°	107.6°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
S	C2	C1	O1	0.8°	46.3°
S	C2	C1	O2	176.2°	134.0°
S	C2	C1	C3	142.0°	122.8°
S	C2	C1	H2	96.3°	117.3°
S	C2	C3	H2	109.1°	118.0°
S	C2	C3	C4	128.8°	72.9°
S	C2	C3	H31	14.7°	165.6°
S	C2	C3	H32	111.2°	48.1°
AU	S	C2	C1	8.7°	64.5°
AU	S	C2	C3	152.3°	171.4°
AU	S	C2	H2	83.2°	53.0°
O1	C1	O2	C2	177.2°	179.7°
O1	C1	O2	HO2	0.0°	179.3°
O1	C1	C2	C3	141.1°	76.5°
O1	C1	C2	H2	97.1°	163.5°
O2	C1	C2	C3	41.8°	103.2°
O2	C1	C2	H2	80.0°	16.8°
HO2	O2	C1	C2	177.2°	0.4°
O3	C4	O4	C3	178.0°	180.0°
O3	C4	C3	C2	139.2°	82.7°
O3	C4	C3	H31	106.6°	39.3°
O3	C4	C3	H32	19.2°	155.9°
HO3	O3	C4	O4	0.0°	179.9°
HO3	O3	C4	C3	178.1°	0.2°
O4	C4	C3	C2	42.8°	97.4°
O4	C4	C3	H31	71.4°	140.7°
O4	C4	C3	H32	162.8°	24.0°
C1	C2	C3	H2	101.4°	119.8°
C1	C2	C3	C4	20.7°	165.0°
C1	C2	C3	H31	134.8°	43.5°
C1	C2	C3	H32	99.3°	74.0°
C2	C3	C4	H31	114.2°	121.9°
C2	C3	C4	H32	120.0°	121.4°
C2	C3	H31	H32	116.6°	118.4°
H2	C2	C3	C4	122.0°	45.2°
H2	C2	C3	H31	123.8°	76.3°
H2	C2	C3	H32	2.0°	166.2°
C4	C3	H31	H32	116.6°	117.2°

260626

PDB entries from 2026-10-07

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