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Summary Geometry Related PDB entries

IMD

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N1	C2	sing	1.32Å	1.33Å	Aromatic
N1	C5	sing	1.35Å	1.39Å	Aromatic
N1	HN1	sing	0.97Å	1.02Å
C2	N3	doub	1.32Å	1.34Å	Aromatic
C2	H2	sing	1.08Å	1.10Å
N3	C4	sing	1.35Å	1.35Å	Aromatic
N3	HN3	sing	0.97Å	1.02Å
C4	C5	doub	1.35Å	1.36Å	Aromatic
C4	H4	sing	1.08Å	1.10Å
C5	H5	sing	1.08Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	N1	C5	108.1°	108.3°
C2	N1	HN1	124.2°	125.9°
N1	C2	N3	107.0°	108.8°
N1	C2	H2	126.1°	125.6°
C5	N1	HN1	127.8°	125.8°
N1	C5	C4	108.2°	107.3°
N1	C5	H5	126.9°	126.3°
N3	C2	H2	126.8°	125.6°
C2	N3	C4	111.4°	108.3°
C2	N3	HN3	123.9°	125.9°
C4	N3	HN3	124.7°	125.8°
N3	C4	C5	105.2°	107.3°
N3	C4	H4	127.3°	126.3°
C5	C4	H4	127.5°	126.3°
C4	C5	H5	125.0°	126.3°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	N1	C5	HN1	179.9°	179.6°
N1	C2	N3	H2	179.9°	179.5°
N1	C2	N3	C4	2.6°	0.5°
N1	C2	N3	HN3	177.4°	179.9°
C2	N1	C5	C4	0.9°	0.3°
C2	N1	C5	H5	179.1°	179.8°
C5	N1	C2	N3	2.1°	0.5°
C5	N1	C2	H2	177.8°	180.0°
N1	C5	C4	N3	0.7°	0.0°
N1	C5	C4	H5	180.0°	179.9°
N1	C5	C4	H4	179.3°	179.9°
HN1	N1	C2	N3	178.0°	179.9°
HN1	N1	C2	H2	2.1°	0.4°
HN1	N1	C5	C4	179.2°	179.9°
HN1	N1	C5	H5	0.9°	0.1°
C2	N3	C4	HN3	180.0°	179.6°
C2	N3	C4	C5	2.1°	0.3°
C2	N3	C4	H4	177.9°	179.8°
H2	C2	N3	C4	177.3°	180.0°
H2	C2	N3	HN3	2.7°	0.4°
N3	C4	C5	H4	180.0°	179.9°
N3	C4	C5	H5	179.3°	179.9°
HN3	N3	C4	C5	178.0°	179.9°
HN3	N3	C4	H4	2.1°	0.1°
H4	C4	C5	H5	0.7°	0.0°

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