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Summary Geometry Related PDB entries

TSM

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
S	O1S	doub	1.42Å	1.50Å
S	O2S	doub	1.42Å	1.50Å
S	C	sing	1.81Å	1.92Å
C	C1	sing	1.53Å	1.57Å
C	C2	sing	1.53Å	1.57Å
C	C3	sing	1.53Å	1.57Å
C1	H11	sing	1.09Å	1.10Å
C1	H12	sing	1.09Å	1.10Å
C1	H13	sing	1.09Å	1.10Å
C2	H21	sing	1.09Å	1.10Å
C2	H22	sing	1.09Å	1.10Å
C2	H23	sing	1.09Å	1.10Å
C3	H31	sing	1.09Å	1.10Å
C3	H32	sing	1.09Å	1.10Å
C3	H33	sing	1.09Å	1.10Å
O3	S	sing	1.52Å	1.68Å
O3	H10	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1S	S	O2S	114.5°	121.1°
O1S	S	C	117.7°	110.5°
O1S	S	O3	102.5°	104.3°
O2S	S	C	117.8°	110.6°
O2S	S	O3	102.5°	104.3°
S	C	C1	115.3°	109.5°
S	C	C2	115.1°	109.5°
S	C	C3	115.1°	109.5°
C	S	O3	97.1°	104.4°
C1	C	C2	103.2°	109.5°
C1	C	C3	103.3°	109.4°
C	C1	H11	109.5°	109.5°
C	C1	H12	109.5°	109.5°
C	C1	H13	109.5°	109.5°
C2	C	C3	103.2°	109.5°
C	C2	H21	109.5°	109.4°
C	C2	H22	109.5°	109.4°
C	C2	H23	109.4°	109.4°
C	C3	H31	109.5°	109.5°
C	C3	H32	109.4°	109.5°
C	C3	H33	109.5°	109.5°
H11	C1	H12	109.5°	109.5°
H11	C1	H13	109.4°	109.5°
H12	C1	H13	109.5°	109.5°
H21	C2	H22	109.5°	109.5°
H21	C2	H23	109.5°	109.5°
H22	C2	H23	109.5°	109.5°
H31	C3	H32	109.5°	109.5°
H31	C3	H33	109.5°	109.5°
H32	C3	H33	109.5°	109.5°
S	O3	H10	109.5°	113.9°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1S	S	O2S	C	144.9°	131.5°
O1S	S	O2S	O3	110.1°	116.8°
O1S	S	C	O3	108.2°	111.6°
O1S	S	C	C1	173.8°	171.6°
O1S	S	C	C2	53.8°	68.4°
O1S	S	C	C3	66.1°	51.6°
O1S	S	O3	H10	0.0°	64.0°
O2S	S	C	O3	108.1°	111.6°
O2S	S	C	C1	42.5°	51.6°
O2S	S	C	C2	162.5°	68.4°
O2S	S	C	C3	77.6°	171.6°
O2S	S	O3	H10	118.9°	63.9°
S	C	C1	C2	126.3°	120.0°
S	C	C1	C3	126.4°	120.0°
S	C	C2	C3	126.2°	120.0°
S	C	C1	H11	180.0°	60.0°
S	C	C1	H12	60.0°	180.0°
S	C	C1	H13	60.0°	60.0°
S	C	C2	H21	180.0°	60.0°
S	C	C2	H22	60.0°	180.0°
S	C	C2	H23	60.0°	60.0°
S	C	C3	H31	180.0°	60.0°
S	C	C3	H32	60.0°	180.0°
S	C	C3	H33	60.0°	60.0°
C	S	O3	H10	120.5°	180.0°
C1	C	C2	C3	107.3°	120.0°
C	C1	H11	H12	120.0°	120.0°
C	C1	H11	H13	120.0°	120.0°
C	C1	H12	H13	120.0°	120.0°
C1	C	C2	H21	53.5°	180.0°
C1	C	C2	H22	173.5°	60.0°
C1	C	C2	H23	66.5°	60.0°
C1	C	C3	H31	53.5°	60.0°
C1	C	C3	H32	66.5°	60.0°
C1	C	C3	H33	173.4°	180.0°
C1	C	S	O3	65.6°	60.0°
C2	C	C1	H11	53.7°	60.0°
C2	C	C1	H12	66.3°	60.0°
C2	C	C1	H13	173.7°	180.0°
C	C2	H21	H22	120.0°	120.0°
C	C2	H21	H23	120.0°	120.0°
C	C2	H22	H23	120.0°	119.9°
C2	C	C3	H31	53.8°	180.0°
C2	C	C3	H32	173.8°	60.0°
C2	C	C3	H33	66.2°	60.0°
C2	C	S	O3	54.4°	180.0°
C3	C	C1	H11	53.6°	180.0°
C3	C	C1	H12	173.6°	60.0°
C3	C	C1	H13	66.4°	60.0°
C3	C	C2	H21	53.8°	60.0°
C3	C	C2	H22	66.2°	60.0°
C3	C	C2	H23	173.8°	180.0°
C	C3	H31	H32	120.0°	120.0°
C	C3	H31	H33	120.0°	120.0°
C	C3	H32	H33	120.0°	120.0°
C3	C	S	O3	174.2°	60.0°
H11	C1	H12	H13	120.0°	120.0°
H21	C2	H22	H23	120.0°	120.1°
H31	C3	H32	H33	120.0°	120.0°

222415

PDB entries from 2024-07-10

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