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Summary Geometry Related PDB entries

W3M

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N	C	trip	1.14Å	1.14Å
C	C1	sing	1.43Å	1.44Å
C3	C1	doub	1.37Å	1.40Å	Aromatic
C3	N2	sing	1.33Å	1.30Å	Aromatic
C1	N1	sing	1.38Å	1.29Å	Aromatic
N2	C2	doub	1.31Å	1.50Å	Aromatic
N1	C2	sing	1.35Å	1.48Å	Aromatic
N1	H1	sing	0.97Å	1.00Å
C3	H2	sing	1.08Å	1.08Å
C2	H4	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N	C	C1	177.7°	180.0°
C	C1	C3	122.8°	126.8°
C	C1	N1	123.4°	126.8°
C1	C3	N2	111.5°	107.8°
C3	C1	N1	113.8°	106.4°
C1	C3	H2	124.3°	126.2°
C3	N2	C2	103.7°	109.7°
N2	C3	H2	124.2°	126.1°
C1	N1	C2	103.7°	107.0°
C1	N1	H1	128.1°	126.5°
N2	C2	N1	107.3°	109.2°
N2	C2	H4	126.4°	125.4°
C2	N1	H1	128.2°	126.5°
N1	C2	H4	126.4°	125.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N	C	C1	C3	156.5°	0.0°
N	C	C1	N1	23.4°	180.0°
C	C1	C3	N1	180.0°	180.0°
C	C1	C3	N2	179.4°	180.0°
C	C1	N1	C2	179.5°	180.0°
C	C1	N1	H1	0.6°	0.2°
C	C1	C3	H2	0.6°	0.0°
C1	C3	N2	H2	180.0°	180.0°
C1	C3	N2	C2	1.4°	0.0°
C3	C1	N1	C2	0.5°	0.0°
C3	C1	N1	H1	179.5°	179.8°
N2	C3	C1	N1	0.7°	0.0°
C3	N2	C2	N1	1.7°	0.0°
C3	N2	C2	H4	178.3°	179.8°
C1	N1	C2	N2	1.3°	0.0°
C1	N1	C2	H1	180.0°	179.8°
N1	C1	C3	H2	179.4°	180.0°
C1	N1	C2	H4	178.7°	179.8°
N2	C2	N1	H4	180.0°	179.8°
N2	C2	N1	H1	178.7°	179.8°
C2	N2	C3	H2	178.6°	180.0°
H1	N1	C2	H4	1.4°	0.0°

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PDB entries from 2024-09-04

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