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Summary Geometry Related PDB entries

WMH

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C	N	sing	1.47Å	1.45Å
N	N2	sing	1.29Å	1.34Å	Aromatic
N	C1	sing	1.35Å	1.35Å	Aromatic
N2	N1	doub	1.29Å	1.32Å	Aromatic
C1	C2	doub	1.35Å	1.35Å	Aromatic
N1	C2	sing	1.34Å	1.36Å	Aromatic
C	H1	sing	1.09Å	1.10Å
C	H2	sing	1.09Å	1.10Å
C	H3	sing	1.09Å	1.10Å
C1	H4	sing	1.08Å	1.08Å
C2	H5	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C	N	N2	121.5°	125.9°
C	N	C1	127.8°	125.9°
N	C	H1	109.5°	109.5°
N	C	H2	109.5°	109.5°
N	C	H3	109.5°	109.4°
N2	N	C1	110.7°	108.2°
N	N2	N1	106.8°	110.2°
N	C1	C2	104.9°	106.2°
N	C1	H4	127.5°	126.9°
N2	N1	C2	109.0°	108.9°
C1	C2	N1	108.6°	106.4°
C2	C1	H4	127.5°	126.9°
C1	C2	H5	125.7°	126.8°
N1	C2	H5	125.7°	126.8°
H1	C	H2	109.4°	109.5°
H1	C	H3	109.5°	109.5°
H2	C	H3	109.4°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C	N	N2	C1	179.1°	179.7°
C	N	N2	N1	178.8°	179.7°
C	N	C1	C2	178.8°	179.7°
N	C	H1	H2	120.0°	120.0°
N	C	H1	H3	120.0°	120.0°
N	C	H2	H3	120.0°	119.9°
C	N	C1	H4	1.2°	0.3°
N2	N	C1	C2	0.2°	0.0°
N	N2	N1	C2	0.2°	0.0°
N2	N	C	H1	0.0°	89.9°
N2	N	C	H2	120.0°	150.0°
N2	N	C	H3	120.0°	30.1°
N2	N	C1	H4	179.8°	180.0°
C1	N	N2	N1	0.2°	0.0°
N	C1	C2	H4	180.0°	180.0°
N	C1	C2	N1	0.1°	0.0°
C1	N	C	H1	178.9°	89.7°
C1	N	C	H2	58.9°	30.3°
C1	N	C	H3	61.1°	150.3°
N	C1	C2	H5	179.9°	180.0°
N2	N1	C2	C1	0.0°	0.0°
N2	N1	C2	H5	179.9°	180.0°
C1	C2	N1	H5	180.0°	180.0°
N1	C2	C1	H4	179.9°	180.0°
H1	C	H2	H3	120.0°	120.0°
H4	C1	C2	H5	0.0°	0.0°

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PDB entries from 2024-07-17

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