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Summary Geometry Related PDB entries

PUT

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N2	C4	sing	1.47Å	1.49Å
N2	HN21	sing	1.01Å	1.02Å
N2	HN22	sing	1.01Å	1.02Å
C4	C3	sing	1.53Å	1.53Å
C4	H41	sing	1.09Å	1.11Å
C4	H42	sing	1.09Å	1.12Å
C3	C2	sing	1.53Å	1.52Å
C3	H31	sing	1.09Å	1.12Å
C3	H32	sing	1.09Å	1.11Å
C2	C1	sing	1.53Å	1.52Å
C2	H21	sing	1.09Å	1.11Å
C2	H22	sing	1.09Å	1.12Å
C1	N1	sing	1.47Å	1.50Å
C1	H11	sing	1.09Å	1.12Å
C1	H12	sing	1.09Å	1.11Å
N1	HN11	sing	1.01Å	1.02Å
N1	HN12	sing	1.01Å	1.02Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C4	N2	HN21	110.6°	106.7°
C4	N2	HN22	111.8°	106.8°
N2	C4	C3	110.5°	109.5°
N2	C4	H41	111.8°	109.5°
N2	C4	H42	111.8°	109.5°
HN21	N2	HN22	111.8°	106.6°
C3	C4	H41	111.8°	109.5°
C3	C4	H42	111.8°	109.5°
C4	C3	C2	113.7°	109.5°
C4	C3	H31	110.7°	109.5°
C4	C3	H32	110.6°	109.5°
H41	C4	H42	98.7°	109.4°
C2	C3	H31	110.7°	109.5°
C2	C3	H32	110.7°	109.5°
C3	C2	C1	112.5°	109.5°
C3	C2	H21	111.1°	109.5°
C3	C2	H22	111.1°	109.5°
H31	C3	H32	99.6°	109.4°
C1	C2	H21	111.1°	109.5°
C1	C2	H22	111.1°	109.5°
C2	C1	N1	110.0°	109.5°
C2	C1	H11	112.0°	109.5°
C2	C1	H12	112.0°	109.5°
H21	C2	H22	99.3°	109.4°
N1	C1	H11	112.0°	109.5°
N1	C1	H12	112.0°	109.5°
C1	N1	HN11	109.9°	106.8°
C1	N1	HN12	112.0°	106.7°
H11	C1	H12	98.3°	109.4°
HN11	N1	HN12	112.0°	106.7°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C4	N2	HN21	HN22	125.2°	113.9°
N2	C4	C3	H41	125.2°	120.1°
N2	C4	C3	H42	125.2°	120.0°
N2	C4	H41	H42	117.7°	120.0°
N2	C4	C3	C2	170.1°	180.0°
N2	C4	C3	H31	64.6°	60.0°
N2	C4	C3	H32	44.8°	59.9°
HN21	N2	C4	C3	180.0°	66.2°
HN21	N2	C4	H41	54.8°	53.8°
HN21	N2	C4	H42	54.8°	173.7°
HN22	N2	C4	C3	54.7°	180.0°
HN22	N2	C4	H41	180.0°	59.9°
HN22	N2	C4	H42	70.5°	60.0°
C3	C4	H41	H42	117.7°	119.9°
C4	C3	C2	H31	125.3°	120.0°
C4	C3	C2	H32	125.3°	120.1°
C4	C3	H31	H32	116.5°	119.9°
C4	C3	C2	C1	179.4°	180.0°
C4	C3	C2	H21	55.4°	59.9°
C4	C3	C2	H22	54.1°	60.0°
H41	C4	C3	C2	44.9°	59.9°
H41	C4	C3	H31	170.2°	180.0°
H41	C4	C3	H32	80.4°	60.1°
H42	C4	C3	C2	64.6°	60.0°
H42	C4	C3	H31	60.6°	60.1°
H42	C4	C3	H32	170.0°	180.0°
C2	C3	H31	H32	116.5°	120.0°
C3	C2	C1	H21	125.3°	120.1°
C3	C2	C1	H22	125.2°	120.0°
C3	C2	H21	H22	117.0°	120.0°
C3	C2	C1	N1	169.6°	180.0°
C3	C2	C1	H11	65.1°	60.0°
C3	C2	C1	H12	44.3°	59.9°
H31	C3	C2	C1	54.1°	60.0°
H31	C3	C2	H21	179.4°	180.0°
H31	C3	C2	H22	71.2°	60.0°
H32	C3	C2	C1	55.3°	59.9°
H32	C3	C2	H21	69.9°	60.1°
H32	C3	C2	H22	179.4°	180.0°
C1	C2	H21	H22	117.0°	119.9°
C2	C1	N1	H11	125.3°	120.0°
C2	C1	N1	H12	125.3°	120.1°
C2	C1	H11	H12	117.9°	119.9°
C2	C1	N1	HN11	180.0°	180.0°
C2	C1	N1	HN12	54.7°	66.2°
H21	C2	C1	N1	44.4°	59.9°
H21	C2	C1	H11	169.7°	180.0°
H21	C2	C1	H12	80.9°	60.1°
H22	C2	C1	N1	65.1°	60.0°
H22	C2	C1	H11	60.1°	60.1°
H22	C2	C1	H12	169.6°	180.0°
N1	C1	H11	H12	117.9°	120.0°
C1	N1	HN11	HN12	125.2°	113.9°
H11	C1	N1	HN11	54.7°	60.0°
H11	C1	N1	HN12	70.5°	173.8°
H12	C1	N1	HN11	54.7°	59.9°
H12	C1	N1	HN12	180.0°	53.9°

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