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Summary Geometry Related PDB entries

DTD

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
S1	C1	sing	1.81Å	1.80Å
S1	S4	sing	2.05Å	1.98Å
C1	C2	sing	1.53Å	1.51Å
C1	H11	sing	1.09Å	1.11Å
C1	H12	sing	1.09Å	1.12Å
C2	O2	sing	1.43Å	1.42Å
C2	C3	sing	1.52Å	1.51Å
C2	H21	sing	1.09Å	1.12Å
O2	HO2	sing	0.97Å	0.95Å
C3	O3	sing	1.43Å	1.40Å
C3	C4	sing	1.52Å	1.58Å
C3	H31	sing	1.09Å	1.11Å
O3	HO3	sing	0.97Å	0.95Å
C4	S4	sing	1.81Å	1.79Å
C4	H41	sing	1.09Å	1.11Å
C4	H42	sing	1.09Å	1.12Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C1	S1	S4	99.6°	99.8°
S1	C1	C2	113.6°	109.7°
S1	C1	H11	110.7°	109.4°
S1	C1	H12	110.7°	109.4°
S1	S4	C4	102.3°	99.8°
C2	C1	H11	110.7°	109.5°
C2	C1	H12	110.7°	109.4°
C1	C2	O2	107.4°	109.2°
C1	C2	C3	117.7°	110.9°
C1	C2	H21	105.1°	109.2°
H11	C1	H12	99.6°	109.4°
O2	C2	C3	109.1°	109.2°
O2	C2	H21	114.4°	109.2°
C2	O2	HO2	107.4°	106.8°
C3	C2	H21	103.4°	109.2°
C2	C3	O3	110.2°	109.1°
C2	C3	C4	110.6°	110.9°
C2	C3	H31	107.1°	109.3°
O3	C3	C4	105.9°	109.2°
O3	C3	H31	111.7°	109.1°
C3	O3	HO3	110.2°	106.8°
C4	C3	H31	111.3°	109.2°
C3	C4	S4	106.8°	109.7°
C3	C4	H41	113.2°	109.4°
C3	C4	H42	113.2°	109.5°
S4	C4	H41	113.2°	109.4°
S4	C4	H42	113.2°	109.4°
H41	C4	H42	97.3°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
S1	C1	C2	H11	125.3°	120.1°
S1	C1	C2	H12	125.2°	120.0°
S1	C1	H11	H12	116.5°	119.8°
S1	C1	C2	O2	176.4°	167.8°
S1	C1	C2	C3	60.1°	71.8°
S1	C1	C2	H21	54.2°	48.5°
C1	S1	S4	C4	57.1°	54.5°
S4	S1	C1	C2	54.5°	62.2°
S4	S1	C1	H11	70.8°	177.7°
S4	S1	C1	H12	179.7°	57.8°
S1	S4	C4	C3	67.5°	62.2°
S1	S4	C4	H41	167.3°	57.9°
S1	S4	C4	H42	57.7°	177.7°
C2	C1	H11	H12	116.6°	119.9°
C1	C2	O2	C3	128.6°	121.4°
C1	C2	O2	H21	116.3°	119.3°
C1	C2	C3	H21	115.3°	120.3°
C1	C2	O2	HO2	179.9°	59.3°
C1	C2	C3	O3	178.1°	165.0°
C1	C2	C3	C4	65.0°	74.7°
C1	C2	C3	H31	56.4°	45.8°
H11	C1	C2	O2	58.3°	47.7°
H11	C1	C2	C3	65.2°	168.1°
H11	C1	C2	H21	179.5°	71.6°
H12	C1	C2	O2	51.2°	72.2°
H12	C1	C2	C3	174.7°	48.2°
H12	C1	C2	H21	71.0°	168.6°
O2	C2	C3	H21	122.1°	119.3°
O2	C2	C3	O3	55.5°	44.7°
O2	C2	C3	C4	172.4°	165.0°
O2	C2	C3	H31	66.2°	74.6°
C3	C2	O2	HO2	51.5°	179.4°
C2	C3	O3	C4	119.7°	121.4°
C2	C3	O3	H31	118.9°	119.4°
C2	C3	C4	H31	118.9°	120.5°
C2	C3	O3	HO3	179.9°	178.8°
C2	C3	C4	S4	68.9°	71.9°
C2	C3	C4	H41	165.9°	48.2°
C2	C3	C4	H42	56.4°	168.1°
H21	C2	O2	HO2	63.7°	60.0°
H21	C2	C3	O3	66.6°	74.7°
H21	C2	C3	C4	50.2°	45.7°
H21	C2	C3	H31	171.7°	166.1°
O3	C3	C4	H31	121.6°	119.2°
O3	C3	C4	S4	171.7°	167.8°
O3	C3	C4	H41	46.4°	72.1°
O3	C3	C4	H42	63.1°	47.8°
C4	C3	O3	HO3	60.2°	59.9°
C3	C4	S4	H41	125.3°	120.1°
C3	C4	S4	H42	125.2°	120.1°
C3	C4	H41	H42	119.1°	119.9°
H31	C3	O3	HO3	61.1°	59.4°
H31	C3	C4	S4	50.0°	48.6°
H31	C3	C4	H41	75.2°	168.6°
H31	C3	C4	H42	175.3°	71.5°
S4	C4	H41	H42	119.2°	119.8°

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