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Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	O1	doub	1.21Å	1.28Å
C1	O2	sing	1.34Å	1.25Å
C1	C2	sing	1.51Å	1.49Å
O2	HO2	sing	0.97Å	0.95Å
C2	O7	sing	1.43Å	1.44Å
C2	C3	sing	1.53Å	1.52Å
C2	H2	sing	1.09Å	1.11Å
O7	HO7	sing	0.97Å	0.95Å
C3	C4	sing	1.53Å	1.51Å
C3	C6	sing	1.51Å	1.52Å
C3	H3	sing	1.09Å	1.11Å
C4	C5	sing	1.51Å	1.51Å
C4	H41	sing	1.09Å	1.11Å
C4	H42	sing	1.09Å	1.12Å
C5	O3	doub	1.21Å	1.24Å
C5	O4	sing	1.34Å	1.26Å
O4	HO4	sing	0.97Å	0.95Å
C6	O5	doub	1.21Å	1.20Å
C6	O6	sing	1.34Å	1.23Å
O6	HO6	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1	C1	O2	121.9°	120.0°
O1	C1	C2	120.8°	120.1°
O2	C1	C2	117.2°	120.0°
C1	O2	HO2	122.0°	120.0°
C1	C2	O7	114.2°	109.4°
C1	C2	C3	104.9°	109.5°
C1	C2	H2	110.4°	109.4°
O7	C2	C3	112.1°	109.5°
O7	C2	H2	102.8°	109.5°
C2	O7	HO7	114.3°	106.8°
C3	C2	H2	112.6°	109.5°
C2	C3	C4	112.9°	109.4°
C2	C3	C6	121.5°	109.5°
C2	C3	H3	98.1°	109.5°
C4	C3	C6	113.2°	109.5°
C4	C3	H3	110.5°	109.4°
C3	C4	C5	115.6°	109.6°
C3	C4	H41	110.0°	109.5°
C3	C4	H42	109.9°	109.4°
C6	C3	H3	97.7°	109.5°
C3	C6	O5	120.2°	120.0°
C3	C6	O6	124.4°	120.0°
C5	C4	H41	110.0°	109.5°
C5	C4	H42	110.0°	109.4°
C4	C5	O3	111.6°	119.9°
C4	C5	O4	125.0°	120.1°
H41	C4	H42	100.2°	109.4°
O3	C5	O4	123.3°	120.0°
C5	O4	HO4	125.0°	120.0°
O5	C6	O6	115.0°	120.0°
C6	O6	HO6	124.3°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C1	O2	C2	176.9°	180.0°
O1	C1	O2	HO2	180.0°	0.0°
O1	C1	C2	O7	172.8°	0.0°
O1	C1	C2	C3	49.6°	119.9°
O1	C1	C2	H2	71.9°	120.0°
O2	C1	C2	O7	4.2°	180.0°
O2	C1	C2	C3	127.4°	60.0°
O2	C1	C2	H2	111.1°	60.0°
C2	C1	O2	HO2	3.0°	179.9°
C1	C2	O7	C3	119.2°	120.0°
C1	C2	O7	H2	119.6°	119.9°
C1	C2	C3	H2	120.1°	120.0°
C1	C2	O7	HO7	180.0°	60.0°
C1	C2	C3	C4	152.4°	180.0°
C1	C2	C3	C6	68.1°	60.0°
C1	C2	C3	H3	36.1°	60.1°
O7	C2	C3	H2	115.4°	120.1°
O7	C2	C3	C4	83.1°	60.1°
O7	C2	C3	C6	56.4°	59.9°
O7	C2	C3	H3	160.6°	180.0°
C3	C2	O7	HO7	60.8°	60.0°
C2	C3	C4	C6	143.0°	120.0°
C2	C3	C4	H3	108.7°	120.0°
C2	C3	C6	H3	104.4°	120.1°
C2	C3	C4	C5	60.4°	66.2°
C2	C3	C4	H41	174.4°	173.6°
C2	C3	C4	H42	64.9°	53.7°
C2	C3	C6	O5	31.2°	4.6°
C2	C3	C6	O6	155.9°	175.5°
H2	C2	O7	HO7	60.4°	179.9°
H2	C2	C3	C4	32.3°	60.0°
H2	C2	C3	C6	171.8°	180.0°
H2	C2	C3	H3	84.0°	59.9°
C4	C3	C6	H3	116.2°	119.9°
C3	C4	C5	H41	125.2°	120.2°
C3	C4	C5	H42	125.2°	119.9°
C3	C4	H41	H42	115.7°	119.9°
C3	C4	C5	O3	134.9°	6.2°
C3	C4	C5	O4	44.5°	173.9°
C4	C3	C6	O5	170.5°	124.6°
C4	C3	C6	O6	16.5°	55.5°
C6	C3	C4	C5	156.7°	173.7°
C6	C3	C4	H41	31.4°	53.6°
C6	C3	C4	H42	78.0°	66.3°
C3	C6	O5	O6	173.6°	179.9°
C3	C6	O6	HO6	180.0°	179.9°
H3	C3	C4	C5	48.3°	53.7°
H3	C3	C4	H41	76.9°	66.4°
H3	C3	C4	H42	173.6°	173.7°
H3	C3	C6	O5	73.2°	115.4°
H3	C3	C6	O6	99.7°	64.4°
C5	C4	H41	H42	115.9°	119.9°
C4	C5	O3	O4	179.5°	179.9°
C4	C5	O4	HO4	180.0°	180.0°
H41	C4	C5	O3	99.8°	114.0°
H41	C4	C5	O4	80.7°	66.0°
H42	C4	C5	O3	9.7°	126.1°
H42	C4	C5	O4	169.8°	54.0°
O3	C5	O4	HO4	0.6°	0.0°
O5	C6	O6	HO6	6.7°	0.0°

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