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Summary Geometry Related PDB entries

D1D

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
S1	C1	sing	1.81Å	1.75Å
S1	S4	sing	2.05Å	2.00Å
C1	C2	sing	1.53Å	1.52Å
C1	H1C1	sing	1.09Å	1.11Å
C1	H1C2	sing	1.09Å	1.11Å
C2	O2	sing	1.43Å	1.42Å
C2	C3	sing	1.52Å	1.55Å
C2	H2	sing	1.09Å	1.12Å
O2	HA	sing	0.97Å	0.95Å
C3	O3	sing	1.43Å	1.42Å
C3	C4	sing	1.52Å	1.53Å
C3	H3	sing	1.09Å	1.11Å
O3	HB	sing	0.97Å	0.95Å
C4	S4	sing	1.81Å	1.74Å
C4	H4C1	sing	1.09Å	1.11Å
C4	H4C2	sing	1.09Å	1.12Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C1	S1	S4	115.1°	99.8°
S1	C1	C2	117.7°	109.7°
S1	C1	H1C1	109.2°	109.4°
S1	C1	H1C2	109.2°	109.4°
S1	S4	C4	113.2°	99.8°
C2	C1	H1C1	109.2°	109.4°
C2	C1	H1C2	109.3°	109.5°
C1	C2	O2	102.4°	109.2°
C1	C2	C3	126.9°	110.9°
C1	C2	H2	107.3°	109.2°
H1C1	C1	H1C2	100.8°	109.4°
O2	C2	C3	104.1°	109.2°
O2	C2	H2	107.4°	109.2°
C2	O2	HA	102.4°	106.8°
C3	C2	H2	107.3°	109.2°
C2	C3	O3	104.9°	109.1°
C2	C3	C4	128.9°	110.9°
C2	C3	H3	105.9°	109.2°
O3	C3	C4	103.4°	109.2°
O3	C3	H3	106.0°	109.1°
C3	O3	HB	104.9°	106.8°
C4	C3	H3	106.0°	109.2°
C3	C4	S4	118.2°	109.7°
C3	C4	H4C1	109.0°	109.5°
C3	C4	H4C2	109.1°	109.4°
S4	C4	H4C1	109.0°	109.4°
S4	C4	H4C2	109.0°	109.4°
H4C1	C4	H4C2	101.0°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
S1	C1	C2	H1C1	125.3°	120.0°
S1	C1	C2	H1C2	125.3°	120.1°
S1	C1	H1C1	H1C2	115.0°	119.9°
S1	C1	C2	O2	115.8°	167.8°
S1	C1	C2	C3	2.7°	71.8°
S1	C1	C2	H2	131.4°	48.5°
C1	S1	S4	C4	0.7°	54.5°
S4	S1	C1	C2	1.7°	62.2°
S4	S1	C1	H1C1	126.9°	57.8°
S4	S1	C1	H1C2	123.6°	177.7°
S1	S4	C4	C3	0.6°	62.2°
S1	S4	C4	H4C1	125.8°	177.7°
S1	S4	C4	H4C2	124.7°	57.9°
C2	C1	H1C1	H1C2	115.0°	119.9°
C1	C2	O2	C3	133.6°	121.4°
C1	C2	O2	H2	112.9°	119.3°
C1	C2	C3	H2	128.7°	120.3°
C1	C2	O2	HA	180.0°	59.3°
C1	C2	C3	O3	118.7°	165.0°
C1	C2	C3	C4	2.8°	74.7°
C1	C2	C3	H3	129.5°	45.8°
H1C1	C1	C2	O2	9.5°	72.2°
H1C1	C1	C2	C3	128.0°	48.2°
H1C1	C1	C2	H2	103.4°	168.6°
H1C2	C1	C2	O2	119.0°	47.7°
H1C2	C1	C2	C3	122.6°	168.1°
H1C2	C1	C2	H2	6.1°	71.6°
O2	C2	C3	H2	113.6°	119.3°
O2	C2	C3	O3	123.6°	44.7°
O2	C2	C3	C4	114.9°	165.0°
O2	C2	C3	H3	11.8°	74.6°
C3	C2	O2	HA	46.4°	179.4°
C2	C3	O3	C4	136.9°	121.4°
C2	C3	O3	H3	111.8°	119.3°
C2	C3	C4	H3	126.7°	120.4°
C2	C3	O3	HB	180.0°	178.8°
C2	C3	C4	S4	1.5°	71.9°
C2	C3	C4	H4C1	126.7°	168.1°
C2	C3	C4	H4C2	123.8°	48.2°
H2	C2	O2	HA	67.1°	60.0°
H2	C2	C3	O3	10.0°	74.7°
H2	C2	C3	C4	131.5°	45.7°
H2	C2	C3	H3	101.8°	166.1°
O3	C3	C4	H3	111.2°	119.3°
O3	C3	C4	S4	120.6°	167.8°
O3	C3	C4	H4C1	4.7°	47.8°
O3	C3	C4	H4C2	114.2°	72.1°
C4	C3	O3	HB	43.0°	59.9°
C3	C4	S4	H4C1	125.3°	120.1°
C3	C4	S4	H4C2	125.3°	120.1°
C3	C4	H4C1	H4C2	114.8°	119.9°
H3	C3	O3	HB	68.2°	59.4°
H3	C3	C4	S4	128.2°	48.6°
H3	C3	C4	H4C1	106.6°	71.5°
H3	C3	C4	H4C2	2.9°	168.6°
S4	C4	H4C1	H4C2	114.8°	119.8°

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