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Summary Geometry Related PDB entries

ZVO

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C	N	sing	1.47Å	1.48Å
N	C1	sing	1.37Å	1.38Å
N	N4	sing	1.40Å	1.39Å
C1	C2	doub	1.38Å	1.39Å	Aromatic
C1	N2	sing	1.33Å	1.37Å	Aromatic
N1	C3	doub	1.34Å	1.33Å	Aromatic
N1	C4	sing	1.32Å	1.33Å	Aromatic
C2	C3	sing	1.38Å	1.41Å	Aromatic
C2	C6	sing	1.46Å	1.41Å	Aromatic
N2	C4	doub	1.33Å	1.31Å	Aromatic
C3	N3	sing	1.36Å	1.39Å	Aromatic
N3	C5	sing	1.39Å	1.42Å	Aromatic
N4	C7	doub	1.31Å	1.36Å
C5	C6	doub	1.35Å	1.38Å	Aromatic
N5	C7	sing	1.39Å	1.37Å
C6	C7	sing	1.47Å	1.46Å
C	H	sing	1.09Å	1.10Å
C	HA	sing	1.09Å	1.10Å
C	HB	sing	1.09Å	1.10Å
N3	HN3	sing	0.97Å	1.00Å
C4	H4	sing	1.08Å	1.08Å
C5	H5	sing	1.08Å	1.08Å
N5	HN5	sing	0.97Å	1.00Å
N5	HN5A	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C	N	C1	120.7°	119.6°
C	N	N4	116.3°	119.6°
N	C	H	109.5°	109.5°
N	C	HA	109.5°	109.4°
N	C	HB	109.4°	109.4°
C1	N	N4	123.0°	120.7°
N	C1	C2	114.3°	116.9°
N	C1	N2	127.9°	127.8°
N	N4	C7	119.6°	125.1°
C2	C1	N2	117.9°	115.3°
C1	C2	C3	120.0°	125.9°
C1	C2	C6	128.9°	124.1°
C1	N2	C4	117.3°	119.0°
C3	N1	C4	115.6°	119.9°
N1	C3	C2	120.6°	114.3°
N1	C3	N3	134.1°	140.6°
N1	C4	N2	128.7°	125.6°
N1	C4	H4	115.6°	117.2°
C3	C2	C6	111.1°	110.0°
C2	C3	N3	105.4°	105.1°
C2	C6	C5	105.6°	104.2°
C2	C6	C7	110.7°	114.6°
N2	C4	H4	115.7°	117.1°
C3	N3	C5	108.9°	110.9°
C3	N3	HN3	125.5°	124.5°
N3	C5	C6	109.0°	109.9°
C5	N3	HN3	125.6°	124.6°
N3	C5	H5	125.5°	125.1°
N4	C7	N5	117.4°	120.7°
N4	C7	C6	123.5°	118.5°
C5	C6	C7	143.6°	141.2°
C6	C5	H5	125.5°	125.1°
N5	C7	C6	119.0°	120.7°
C7	N5	HN5	120.0°	120.0°
C7	N5	HN5A	120.0°	120.0°
H	C	HA	109.5°	109.5°
H	C	HB	109.5°	109.5°
HA	C	HB	109.5°	109.5°
HN5	N5	HN5A	120.0°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C	N	C1	N4	179.5°	179.8°
C	N	C1	C2	179.4°	180.0°
C	N	C1	N2	0.2°	0.1°
C	N	N4	C7	179.2°	180.0°
N	C	H	HA	120.0°	120.0°
N	C	H	HB	120.0°	120.0°
N	C	HA	HB	120.0°	119.9°
N	C1	C2	N2	179.3°	180.0°
N	C1	C2	C3	179.3°	180.0°
N	C1	C2	C6	0.1°	0.0°
N	C1	N2	C4	179.2°	180.0°
C1	N	N4	C7	0.4°	0.2°
C1	N	C	H	179.6°	89.9°
C1	N	C	HA	59.5°	150.0°
C1	N	C	HB	60.4°	30.1°
N4	N	C1	C2	0.1°	0.2°
N4	N	C1	N2	179.3°	179.8°
N	N4	C7	N5	178.3°	180.0°
N	N4	C7	C6	0.5°	0.0°
N4	N	C	H	0.0°	90.3°
N4	N	C	HA	120.0°	29.8°
N4	N	C	HB	120.0°	149.7°
C1	C2	C3	N1	0.1°	0.0°
C1	C2	C3	C6	179.3°	180.0°
C2	C1	N2	C4	0.0°	0.0°
C1	C2	C3	N3	179.2°	180.0°
C1	C2	C6	C5	179.2°	180.0°
C1	C2	C6	C7	0.0°	0.3°
C1	N2	C4	N1	0.1°	0.0°
N2	C1	C2	C3	0.0°	0.0°
N2	C1	C2	C6	179.2°	180.0°
C1	N2	C4	H4	180.0°	180.0°
N1	C3	C2	N3	179.4°	179.9°
N1	C3	C2	C6	179.5°	180.0°
C3	N1	C4	N2	0.2°	0.0°
N1	C3	N3	C5	179.3°	180.0°
N1	C3	N3	HN3	0.6°	0.1°
C3	N1	C4	H4	179.8°	180.0°
C4	N1	C3	C2	0.2°	0.0°
N1	C4	N2	H4	180.0°	179.9°
C4	N1	C3	N3	178.9°	179.9°
C2	C3	N3	C5	0.1°	0.1°
C3	C2	C6	C5	0.1°	0.0°
C3	C2	C6	C7	179.3°	179.8°
C2	C3	N3	HN3	179.9°	180.0°
C6	C2	C3	N3	0.1°	0.1°
C2	C6	C5	N3	0.0°	0.1°
C2	C6	C7	N4	0.3°	0.2°
C2	C6	C5	C7	178.8°	179.7°
C2	C6	C7	N5	178.5°	179.8°
C2	C6	C5	H5	180.0°	180.0°
C3	N3	C5	HN3	180.0°	179.9°
C3	N3	C5	C6	0.1°	0.1°
C3	N3	C5	H5	179.9°	180.0°
N3	C5	C6	H5	180.0°	179.9°
N3	C5	C6	C7	178.7°	179.6°
N4	C7	C6	C5	179.0°	179.9°
N4	C7	N5	C6	178.9°	180.0°
N4	C7	N5	HN5	0.0°	0.0°
N4	C7	N5	HN5A	180.0°	180.0°
C5	C6	C7	N5	0.2°	0.1°
C6	C5	N3	HN3	179.9°	180.0°
C7	N5	HN5	HN5A	180.0°	180.0°
C7	C6	C5	H5	1.2°	0.3°
C6	C7	N5	HN5	178.8°	180.0°
C6	C7	N5	HN5A	1.2°	0.0°
H	C	HA	HB	120.0°	120.1°
HN3	N3	C5	H5	0.1°	0.0°

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