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Summary Geometry Related PDB entries

AYE

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C2	C3	doub	1.31Å	1.53Å
C2	C1	sing	1.51Å	1.56Å
C1	N1	sing	1.47Å	1.50Å
C2	H2	sing	1.08Å	1.08Å
C3	H3	sing	1.08Å	1.08Å
C3	H3A	sing	1.08Å	1.08Å
C1	H1	sing	1.09Å	1.10Å
C1	H1A	sing	1.09Å	1.10Å
N1	HN1	sing	1.01Å	1.00Å
N1	HN1A	sing	1.01Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C3	C2	C1	123.0°	120.0°
C3	C2	H2	118.5°	120.0°
C2	C3	H3	106.1°	120.0°
C2	C3	H3A	126.9°	120.0°
C2	C1	N1	119.5°	109.5°
C1	C2	H2	118.5°	120.0°
C2	C1	H1	106.3°	109.5°
C2	C1	H1A	104.0°	109.5°
N1	C1	H1	106.2°	109.5°
N1	C1	H1A	103.9°	109.5°
C1	N1	HN1	109.5°	111.0°
C1	N1	HN1A	109.5°	111.0°
H3	C3	H3A	127.0°	120.0°
H1	C1	H1A	117.7°	109.5°
HN1	N1	HN1A	109.5°	111.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C3	C2	C1	H2	180.0°	179.8°
C3	C2	C1	N1	116.8°	125.0°
C2	C3	H3	H3A	180.0°	179.9°
C3	C2	C1	H1	3.2°	115.0°
C3	C2	C1	H1A	128.0°	5.0°
C2	C1	N1	H1	120.0°	120.0°
C2	C1	N1	H1A	115.2°	120.0°
C1	C2	C3	H3	0.0°	180.0°
C1	C2	C3	H3A	180.0°	0.1°
C2	C1	H1	H1A	115.9°	120.0°
C2	C1	N1	HN1	46.1°	179.9°
C2	C1	N1	HN1A	73.9°	56.0°
N1	C1	C2	H2	63.2°	54.8°
N1	C1	H1	H1A	115.9°	120.0°
C1	N1	HN1	HN1A	120.0°	124.0°
H2	C2	C3	H3	180.0°	0.2°
H2	C2	C3	H3A	0.0°	179.7°
H2	C2	C1	H1	176.8°	65.3°
H2	C2	C1	H1A	52.0°	174.7°
H1	C1	N1	HN1	166.1°	60.1°
H1	C1	N1	HN1A	46.1°	176.0°
H1A	C1	N1	HN1	69.1°	60.0°
H1A	C1	N1	HN1A	170.9°	64.0°

226707

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