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Summary Geometry Related PDB entries

DTV

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
S1	C1	sing	1.81Å	1.72Å
S1	H1	sing	1.34Å	0.95Å
C1	C2	sing	1.53Å	1.41Å
C1	H1C1	sing	1.09Å	1.12Å
C1	H1C2	sing	1.09Å	1.11Å
C2	O2	sing	1.43Å	1.37Å
C2	C3	sing	1.53Å	1.45Å
C2	H2	sing	1.09Å	1.11Å
O2	HA	sing	0.97Å	0.95Å
C3	O3	sing	1.43Å	1.11Å
C3	C4	sing	1.53Å	1.46Å
C3	H3	sing	1.09Å	1.11Å
O3	HB	sing	0.97Å	0.95Å
C4	S4	sing	1.81Å	1.76Å
C4	H4C1	sing	1.09Å	1.11Å
C4	H4C2	sing	1.09Å	1.12Å
S4	H4	sing	1.34Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C1	S1	H1	92.8°	100.0°
S1	C1	C2	92.8°	109.5°
S1	C1	H1C1	118.8°	109.5°
S1	C1	H1C2	118.8°	109.4°
C2	C1	H1C1	118.8°	109.5°
C2	C1	H1C2	118.8°	109.4°
C1	C2	O2	105.2°	109.5°
C1	C2	C3	119.5°	109.5°
C1	C2	H2	108.3°	109.4°
H1C1	C1	H1C2	91.4°	109.5°
O2	C2	C3	106.6°	109.5°
O2	C2	H2	108.3°	109.5°
C2	O2	HA	105.3°	106.8°
C3	C2	H2	108.4°	109.4°
C2	C3	O3	118.4°	109.5°
C2	C3	C4	113.0°	109.5°
C2	C3	H3	106.8°	109.5°
O3	C3	C4	104.3°	109.5°
O3	C3	H3	106.8°	109.5°
C3	O3	HB	118.4°	106.9°
C4	C3	H3	106.8°	109.4°
C3	C4	S4	95.9°	109.5°
C3	C4	H4C1	117.5°	109.5°
C3	C4	H4C2	117.5°	109.5°
S4	C4	H4C1	117.5°	109.5°
S4	C4	H4C2	117.5°	109.4°
C4	S4	H4	95.9°	100.0°
H4C1	C4	H4C2	92.7°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
S1	C1	C2	H1C1	125.2°	120.0°
S1	C1	C2	H1C2	125.3°	120.0°
S1	C1	H1C1	H1C2	124.3°	120.0°
S1	C1	C2	O2	71.6°	60.0°
S1	C1	C2	C3	168.7°	180.0°
S1	C1	C2	H2	44.1°	60.1°
H1	S1	C1	C2	180.0°	180.0°
H1	S1	C1	H1C1	54.7°	60.0°
H1	S1	C1	H1C2	54.7°	60.0°
C2	C1	H1C1	H1C2	124.3°	120.0°
C1	C2	O2	C3	127.9°	120.1°
C1	C2	O2	H2	115.7°	120.0°
C1	C2	C3	H2	124.7°	119.9°
C1	C2	O2	HA	180.0°	60.1°
C1	C2	C3	O3	47.0°	60.0°
C1	C2	C3	C4	75.4°	180.0°
C1	C2	C3	H3	167.4°	60.0°
H1C1	C1	C2	O2	163.1°	180.0°
H1C1	C1	C2	C3	43.5°	60.0°
H1C1	C1	C2	H2	81.2°	60.0°
H1C2	C1	C2	O2	53.7°	60.0°
H1C2	C1	C2	C3	66.0°	60.0°
H1C2	C1	C2	H2	169.4°	180.0°
O2	C2	C3	H2	116.4°	120.0°
O2	C2	C3	O3	165.9°	60.0°
O2	C2	C3	C4	43.5°	60.0°
O2	C2	C3	H3	73.6°	180.0°
C3	C2	O2	HA	52.1°	60.0°
C2	C3	O3	C4	126.6°	120.0°
C2	C3	O3	H3	120.5°	120.0°
C2	C3	C4	H3	117.2°	120.0°
C2	C3	O3	HB	180.0°	60.0°
C2	C3	C4	S4	67.6°	180.0°
C2	C3	C4	H4C1	167.1°	60.0°
C2	C3	C4	H4C2	57.6°	60.0°
H2	C2	O2	HA	64.3°	180.0°
H2	C2	C3	O3	77.7°	180.0°
H2	C2	C3	C4	159.9°	60.0°
H2	C2	C3	H3	42.8°	60.0°
O3	C3	C4	H3	112.9°	120.0°
O3	C3	C4	S4	162.4°	60.0°
O3	C3	C4	H4C1	37.1°	180.0°
O3	C3	C4	H4C2	72.3°	60.0°
C4	C3	O3	HB	53.3°	60.1°
C3	C4	S4	H4C1	125.3°	120.0°
C3	C4	S4	H4C2	125.3°	120.0°
C3	C4	H4C1	H4C2	123.2°	120.0°
C3	C4	S4	H4	180.0°	180.0°
H3	C3	O3	HB	59.6°	180.0°
H3	C3	C4	S4	49.5°	60.1°
H3	C3	C4	H4C1	75.8°	60.0°
H3	C3	C4	H4C2	174.8°	180.0°
S4	C4	H4C1	H4C2	123.2°	120.0°
H4C1	C4	S4	H4	54.7°	60.0°
H4C2	C4	S4	H4	54.7°	60.0°

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