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Summary Geometry Related PDB entries

NIC

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	O1	doub	1.21Å	1.24Å
C1	O2	sing	1.34Å	1.23Å
C1	C2	sing	1.51Å	1.56Å
O2	HO2	sing	0.97Å	0.95Å
C2	C3	sing	1.53Å	1.57Å
C2	O7	sing	1.43Å	1.43Å
C2	H2	sing	1.09Å	1.11Å
C3	C4	sing	1.53Å	1.48Å
C3	N6	sing	1.46Å	1.49Å
C3	H3	sing	1.09Å	1.11Å
O7	HO7	sing	0.97Å	0.95Å
C4	C5	sing	1.51Å	1.50Å
C4	H41	sing	1.09Å	1.11Å
C4	H42	sing	1.09Å	1.12Å
C5	O3	doub	1.21Å	1.26Å
C5	O4	sing	1.34Å	1.25Å
O4	HO4	sing	0.97Å	0.95Å
N6	O5	sing	1.22Å	1.24Å
N6	O6	doub	1.22Å	1.21Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1	C1	O2	119.6°	120.0°
O1	C1	C2	122.0°	120.0°
O2	C1	C2	118.2°	120.0°
C1	O2	HO2	119.7°	120.0°
C1	C2	C3	109.0°	109.5°
C1	C2	O7	116.0°	109.5°
C1	C2	H2	106.5°	109.5°
C3	C2	O7	113.1°	109.5°
C3	C2	H2	109.8°	109.5°
C2	C3	C4	120.0°	109.5°
C2	C3	N6	117.4°	109.5°
C2	C3	H3	94.7°	109.5°
O7	C2	H2	101.8°	109.4°
C2	O7	HO7	116.0°	106.8°
C4	C3	N6	115.2°	109.4°
C4	C3	H3	98.9°	109.4°
C3	C4	C5	103.5°	109.5°
C3	C4	H41	114.5°	109.5°
C3	C4	H42	114.4°	109.5°
N6	C3	H3	103.7°	109.5°
C3	N6	O5	123.9°	120.0°
C3	N6	O6	122.7°	120.0°
C5	C4	H41	114.5°	109.5°
C5	C4	H42	114.5°	109.5°
C4	C5	O3	131.1°	120.0°
C4	C5	O4	111.9°	120.0°
H41	C4	H42	96.0°	109.5°
O3	C5	O4	117.0°	120.0°
C5	O4	HO4	111.9°	120.0°
O5	N6	O6	113.3°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C1	O2	C2	176.5°	180.0°
O1	C1	O2	HO2	180.0°	0.0°
O1	C1	C2	C3	58.9°	115.0°
O1	C1	C2	O7	172.1°	5.0°
O1	C1	C2	H2	59.6°	125.0°
O2	C1	C2	C3	124.8°	65.0°
O2	C1	C2	O7	4.3°	175.0°
O2	C1	C2	H2	116.7°	55.0°
C2	C1	O2	HO2	3.5°	180.0°
C1	C2	C3	O7	130.6°	120.1°
C1	C2	C3	H2	116.4°	120.0°
C1	C2	O7	H2	115.2°	120.0°
C1	C2	C3	C4	156.9°	180.0°
C1	C2	C3	N6	54.4°	60.1°
C1	C2	C3	H3	53.7°	60.0°
C1	C2	O7	HO7	180.0°	60.0°
C3	C2	O7	H2	117.8°	120.0°
C2	C3	C4	N6	149.4°	120.0°
C2	C3	C4	H3	100.8°	120.0°
C2	C3	N6	H3	102.9°	120.1°
C3	C2	O7	HO7	53.0°	60.1°
C2	C3	C4	C5	56.4°	175.0°
C2	C3	C4	H41	178.4°	55.0°
C2	C3	C4	H42	68.9°	65.0°
C2	C3	N6	O5	23.3°	59.9°
C2	C3	N6	O6	155.3°	120.0°
O7	C2	C3	C4	72.5°	59.9°
O7	C2	C3	N6	76.2°	60.0°
O7	C2	C3	H3	175.6°	179.9°
H2	C2	C3	C4	40.5°	60.0°
H2	C2	C3	N6	170.8°	180.0°
H2	C2	C3	H3	62.7°	60.0°
H2	C2	O7	HO7	64.8°	180.0°
C4	C3	N6	H3	107.0°	119.9°
C3	C4	C5	H41	125.3°	120.0°
C3	C4	C5	H42	125.2°	120.0°
C3	C4	H41	H42	120.3°	120.0°
C3	C4	C5	O3	55.9°	0.0°
C3	C4	C5	O4	125.6°	180.0°
C4	C3	N6	O5	173.5°	60.1°
C4	C3	N6	O6	5.1°	120.0°
N6	C3	C4	C5	154.2°	65.0°
N6	C3	C4	H41	29.0°	175.0°
N6	C3	C4	H42	80.5°	55.0°
C3	N6	O5	O6	178.7°	179.9°
H3	C3	C4	C5	44.4°	55.0°
H3	C3	C4	H41	80.9°	65.0°
H3	C3	C4	H42	169.7°	175.0°
H3	C3	N6	O5	79.6°	180.0°
H3	C3	N6	O6	101.9°	0.1°
C5	C4	H41	H42	120.4°	120.0°
C4	C5	O3	O4	178.4°	180.0°
C4	C5	O4	HO4	180.0°	180.0°
H41	C4	C5	O3	69.4°	120.0°
H41	C4	C5	O4	109.1°	60.0°
H42	C4	C5	O3	178.9°	120.0°
H42	C4	C5	O4	0.4°	60.0°
O3	C5	O4	HO4	1.3°	0.0°

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