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Summary Geometry Related PDB entries

DCD

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C5	C3	sing	1.53Å	1.53Å
C5	H5C1	sing	1.09Å	1.11Å
C5	H5C2	sing	1.09Å	1.12Å
C5	H5C3	sing	1.09Å	1.11Å
C3	N1	sing	1.46Å	1.46Å
C3	H3C1	sing	1.09Å	1.11Å
C3	H3C2	sing	1.09Å	1.12Å
N1	C1	sing	1.35Å	1.35Å
N1	C2	sing	1.46Å	1.46Å
C1	S2	doub	1.71Å	1.63Å
C1	S1	sing	1.76Å	1.63Å
S1	HS	sing	1.41Å	0.95Å
C2	C4	sing	1.53Å	1.52Å
C2	H2C1	sing	1.09Å	1.11Å
C2	H2C2	sing	1.09Å	1.11Å
C4	H4C1	sing	1.09Å	1.12Å
C4	H4C2	sing	1.09Å	1.11Å
C4	H4C3	sing	1.09Å	1.11Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C3	C5	H5C1	110.4°	109.5°
C3	C5	H5C2	111.9°	109.4°
C3	C5	H5C3	111.9°	109.5°
C5	C3	N1	110.4°	109.5°
C5	C3	H3C1	111.9°	109.5°
C5	C3	H3C2	111.9°	109.4°
H5C1	C5	H5C2	111.9°	109.4°
H5C1	C5	H5C3	111.9°	109.5°
H5C2	C5	H5C3	98.5°	109.4°
N1	C3	H3C1	111.9°	109.5°
N1	C3	H3C2	111.9°	109.5°
C3	N1	C1	122.0°	120.0°
C3	N1	C2	113.0°	120.0°
H3C1	C3	H3C2	98.5°	109.4°
C1	N1	C2	125.0°	120.0°
N1	C1	S2	122.2°	120.0°
N1	C1	S1	118.4°	120.0°
N1	C2	C4	109.2°	109.5°
N1	C2	H2C1	112.3°	109.4°
N1	C2	H2C2	112.3°	109.5°
S2	C1	S1	119.4°	120.0°
C1	S1	HS	118.4°	100.0°
C4	C2	H2C1	112.3°	109.5°
C4	C2	H2C2	112.3°	109.5°
C2	C4	H4C1	109.2°	109.5°
C2	C4	H4C2	112.3°	109.5°
C2	C4	H4C3	112.3°	109.5°
H2C1	C2	H2C2	98.1°	109.5°
H4C1	C4	H4C2	112.3°	109.5°
H4C1	C4	H4C3	112.3°	109.4°
H4C2	C4	H4C3	98.1°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C3	C5	H5C1	H5C2	125.3°	119.9°
C3	C5	H5C1	H5C3	125.3°	120.1°
C3	C5	H5C2	H5C3	117.8°	120.0°
C5	C3	N1	H3C1	125.3°	120.1°
C5	C3	N1	H3C2	125.3°	119.9°
C5	C3	H3C1	H3C2	117.8°	119.9°
C5	C3	N1	C1	98.5°	90.0°
C5	C3	N1	C2	82.3°	90.1°
H5C1	C5	H5C2	H5C3	117.8°	120.0°
H5C1	C5	C3	N1	180.0°	180.0°
H5C1	C5	C3	H3C1	54.8°	59.9°
H5C1	C5	C3	H3C2	54.7°	60.0°
H5C2	C5	C3	N1	54.7°	60.0°
H5C2	C5	C3	H3C1	70.5°	60.1°
H5C2	C5	C3	H3C2	180.0°	180.0°
H5C3	C5	C3	N1	54.7°	59.9°
H5C3	C5	C3	H3C1	180.0°	180.0°
H5C3	C5	C3	H3C2	70.5°	60.1°
N1	C3	H3C1	H3C2	117.8°	120.0°
C3	N1	C1	C2	179.1°	179.9°
C3	N1	C1	S2	179.2°	5.0°
C3	N1	C1	S1	1.0°	174.9°
C3	N1	C2	C4	91.7°	94.9°
C3	N1	C2	H2C1	33.5°	145.0°
C3	N1	C2	H2C2	143.0°	25.1°
H3C1	C3	N1	C1	26.8°	150.0°
H3C1	C3	N1	C2	152.4°	30.0°
H3C2	C3	N1	C1	136.2°	30.0°
H3C2	C3	N1	C2	43.0°	150.0°
N1	C1	S2	S1	178.1°	179.9°
N1	C1	S1	HS	180.0°	4.9°
C1	N1	C2	C4	87.4°	85.0°
C1	N1	C2	H2C1	147.3°	35.0°
C1	N1	C2	H2C2	37.8°	155.0°
C2	N1	C1	S2	1.7°	175.1°
C2	N1	C1	S1	179.9°	5.0°
N1	C2	C4	H2C1	125.3°	120.0°
N1	C2	C4	H2C2	125.3°	120.0°
N1	C2	H2C1	H2C2	118.2°	120.0°
N1	C2	C4	H4C1	180.0°	180.0°
N1	C2	C4	H4C2	54.7°	60.0°
N1	C2	C4	H4C3	54.7°	60.0°
S2	C1	S1	HS	1.8°	175.0°
C4	C2	H2C1	H2C2	118.2°	120.0°
C2	C4	H4C1	H4C2	125.3°	120.0°
C2	C4	H4C1	H4C3	125.2°	120.0°
C2	C4	H4C2	H4C3	118.2°	120.0°
H2C1	C2	C4	H4C1	54.7°	60.0°
H2C1	C2	C4	H4C2	180.0°	NaN°
H2C1	C2	C4	H4C3	70.5°	60.0°
H2C2	C2	C4	H4C1	54.8°	60.0°
H2C2	C2	C4	H4C2	70.5°	60.0°
H2C2	C2	C4	H4C3	180.0°	NaN°
H4C1	C4	H4C2	H4C3	118.2°	120.0°

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