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Summary Geometry Related PDB entries

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Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O	C2	doub	1.22Å	1.24Å
C2	N1	sing	1.35Å	1.39Å
C2	C3	sing	1.41Å	1.46Å
N1	C1	sing	1.36Å	1.37Å
C3	N4	sing	1.36Å	1.39Å	Aromatic
C3	C4	doub	1.40Å	1.38Å	Aromatic
N4	C5	doub	1.30Å	1.32Å	Aromatic
C5	N3	sing	1.36Å	1.36Å	Aromatic
N3	C6	sing	1.47Å	1.46Å
N3	C4	sing	1.37Å	1.37Å	Aromatic
C4	N2	sing	1.34Å	1.34Å
N2	C1	doub	1.31Å	1.32Å
C1	N	sing	1.37Å	1.33Å
N	C	sing	1.47Å	1.45Å
N1	H1	sing	0.97Å	1.00Å
C5	H5	sing	1.08Å	1.08Å
C6	H61C	sing	1.09Å	1.10Å
C6	H62C	sing	1.09Å	1.10Å
C6	H63C	sing	1.09Å	1.10Å
N	H	sing	0.97Å	1.00Å
C	HC1	sing	1.09Å	1.10Å
C	HC2	sing	1.09Å	1.10Å
C	HC3	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O	C2	N1	122.2°	120.8°
O	C2	C3	125.8°	120.8°
N1	C2	C3	112.0°	118.3°
C2	N1	C1	124.0°	120.4°
C2	N1	H1	118.0°	119.8°
C2	C3	N4	131.0°	134.1°
C2	C3	C4	118.1°	118.6°
N1	C1	N2	124.7°	121.9°
N1	C1	N	116.6°	119.1°
C1	N1	H1	118.0°	119.8°
N4	C3	C4	110.4°	107.3°
C3	N4	C5	103.5°	109.3°
C3	C4	N3	105.7°	106.1°
C3	C4	N2	127.7°	119.7°
N4	C5	N3	113.6°	109.8°
N4	C5	H5	123.2°	125.1°
C5	N3	C6	125.8°	126.3°
C5	N3	C4	106.3°	107.5°
N3	C5	H5	123.2°	125.1°
C6	N3	C4	128.0°	126.2°
N3	C6	H61C	109.5°	109.4°
N3	C6	H62C	109.5°	109.5°
N3	C6	H63C	109.4°	109.5°
N3	C4	N2	126.3°	134.2°
C4	N2	C1	113.3°	121.1°
N2	C1	N	118.4°	119.0°
C1	N	C	124.1°	120.0°
C1	N	H	117.9°	120.0°
C	N	H	118.0°	120.0°
N	C	HC1	109.5°	109.5°
N	C	HC2	109.4°	109.5°
N	C	HC3	109.5°	109.4°
H61C	C6	H62C	109.5°	109.4°
H61C	C6	H63C	109.5°	109.5°
H62C	C6	H63C	109.5°	109.5°
HC1	C	HC2	109.5°	109.5°
HC1	C	HC3	109.5°	109.5°
HC2	C	HC3	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O	C2	N1	C3	179.2°	179.8°
O	C2	N1	C1	178.5°	180.0°
O	C2	C3	N4	8.9°	0.1°
O	C2	C3	C4	179.9°	180.0°
O	C2	N1	H1	1.5°	0.0°
C2	N1	C1	H1	180.0°	180.0°
N1	C2	C3	N4	171.9°	179.7°
N1	C2	C3	C4	0.8°	0.2°
C2	N1	C1	N2	3.4°	0.0°
C2	N1	C1	N	176.1°	179.9°
C3	C2	N1	C1	0.7°	0.2°
C2	C3	N4	C4	171.7°	179.9°
C2	C3	N4	C5	177.2°	180.0°
C2	C3	C4	N3	174.8°	180.0°
C2	C3	C4	N2	0.1°	0.0°
C3	C2	N1	H1	179.3°	179.8°
N1	C1	N2	C4	4.0°	0.3°
N1	C1	N2	N	172.6°	179.9°
N1	C1	N	C	177.5°	180.0°
N1	C1	N	H	2.5°	0.0°
C3	N4	C5	N3	7.4°	0.0°
N4	C3	C4	N3	1.9°	0.0°
N4	C3	C4	N2	172.8°	180.0°
C3	N4	C5	H5	172.5°	180.0°
C4	C3	N4	C5	5.6°	0.0°
C3	C4	N3	C5	2.5°	0.0°
C3	C4	N3	C6	177.8°	180.0°
C3	C4	N3	N2	174.8°	180.0°
C3	C4	N2	C1	2.4°	0.3°
N4	C5	N3	H5	180.0°	180.0°
N4	C5	N3	C6	173.7°	180.0°
N4	C5	N3	C4	6.5°	0.0°
C5	N3	C6	C4	179.7°	180.0°
C5	N3	C4	N2	177.3°	180.0°
C5	N3	C6	H61C	180.0°	90.0°
C5	N3	C6	H62C	60.0°	150.0°
C5	N3	C6	H63C	60.0°	30.0°
C6	N3	C4	N2	3.0°	0.0°
C6	N3	C5	H5	6.3°	0.0°
N3	C6	H61C	H62C	120.0°	119.9°
N3	C6	H61C	H63C	120.0°	120.0°
N3	C6	H62C	H63C	120.0°	120.0°
N3	C4	N2	C1	176.1°	179.7°
C4	N3	C5	H5	173.5°	180.0°
C4	N3	C6	H61C	0.3°	90.0°
C4	N3	C6	H62C	120.3°	30.0°
C4	N3	C6	H63C	119.7°	150.0°
C4	N2	C1	N	176.6°	179.8°
N2	C1	N	C	9.3°	0.1°
N2	C1	N1	H1	176.6°	180.0°
N2	C1	N	H	170.7°	179.9°
C1	N	C	H	180.0°	180.0°
N	C1	N1	H1	3.8°	0.1°
C1	N	C	HC1	180.0°	60.0°
C1	N	C	HC2	60.0°	60.0°
C1	N	C	HC3	60.0°	180.0°
N	C	HC1	HC2	120.0°	120.0°
N	C	HC1	HC3	120.0°	120.0°
N	C	HC2	HC3	120.0°	120.0°
H61C	C6	H62C	H63C	120.0°	120.1°
H	N	C	HC1	0.0°	120.0°
H	N	C	HC2	120.0°	120.0°
H	N	C	HC3	120.0°	0.0°
HC1	C	HC2	HC3	120.0°	120.1°

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