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Summary Geometry Related PDB entries

ICA

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	sing	1.51Å	1.50Å
C1	O1	doub	1.21Å	1.25Å
C1	O2	sing	1.34Å	1.23Å
C2	C3	sing	1.53Å	1.46Å
C2	O7	sing	1.43Å	1.44Å
C2	H2	sing	1.09Å	1.10Å
C3	C4	sing	1.53Å	1.49Å
C3	C6	sing	1.51Å	1.57Å
C3	H3	sing	1.09Å	1.10Å
C4	C5	sing	1.51Å	1.40Å
C4	H41	sing	1.09Å	1.10Å
C4	H42	sing	1.09Å	1.10Å
C5	O3	doub	1.21Å	1.24Å
C5	O4	sing	1.34Å	1.22Å
C6	O5	doub	1.21Å	1.24Å
C6	O6	sing	1.34Å	1.27Å
O2	HO2	sing	0.97Å	0.95Å
O4	HO4	sing	0.97Å	0.95Å
O6	HO6	sing	0.97Å	0.95Å
O7	CA	sing	2.13Å	2.49Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	O1	117.2°	120.0°
C2	C1	O2	117.9°	120.0°
C1	C2	C3	108.7°	109.5°
C1	C2	O7	108.7°	109.5°
C1	C2	H2	108.8°	109.5°
O1	C1	O2	124.8°	120.0°
C1	O2	HO2	109.5°	117.0°
C3	C2	O7	111.7°	109.5°
C3	C2	H2	109.3°	109.5°
C2	C3	C4	105.1°	109.5°
C2	C3	C6	111.1°	109.5°
C2	C3	H3	110.1°	109.5°
O7	C2	H2	109.6°	109.4°
C2	O7	CA	109.7°	114.0°
C4	C3	C6	112.6°	109.5°
C4	C3	H3	109.5°	109.4°
C3	C4	C5	121.4°	109.5°
C3	C4	H41	106.4°	109.5°
C3	C4	H42	106.4°	109.5°
C6	C3	H3	108.5°	109.5°
C3	C6	O5	117.9°	120.0°
C3	C6	O6	116.8°	120.0°
C5	C4	H41	106.4°	109.5°
C5	C4	H42	106.4°	109.5°
C4	C5	O3	122.8°	120.0°
C4	C5	O4	115.2°	120.0°
H41	C4	H42	109.5°	109.5°
O3	C5	O4	120.3°	120.0°
C5	O4	HO4	109.5°	117.0°
O5	C6	O6	125.1°	120.0°
C6	O6	HO6	109.5°	117.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	O1	O2	177.3°	179.7°
C1	C2	C3	O7	120.0°	120.0°
C1	C2	C3	H2	118.6°	120.0°
C1	C2	O7	H2	118.8°	120.0°
C1	C2	C3	C4	148.5°	175.0°
C1	C2	C3	C6	89.5°	65.0°
C1	C2	C3	H3	30.7°	55.0°
C2	C1	O2	HO2	177.2°	180.0°
C1	C2	O7	CA	47.1°	90.0°
O1	C1	C2	C3	39.5°	115.0°
O1	C1	C2	O7	161.3°	5.0°
O1	C1	C2	H2	79.4°	125.0°
O1	C1	O2	HO2	0.0°	0.3°
O2	C1	C2	C3	138.0°	64.7°
O2	C1	C2	O7	16.1°	175.2°
O2	C1	C2	H2	103.1°	55.3°
C3	C2	O7	H2	121.3°	120.0°
C2	C3	C4	C6	121.0°	120.0°
C2	C3	C4	H3	118.2°	120.0°
C2	C3	C6	H3	121.1°	120.0°
C2	C3	C4	C5	144.3°	175.0°
C2	C3	C4	H41	94.0°	65.0°
C2	C3	C4	H42	22.6°	55.0°
C2	C3	C6	O5	85.7°	0.0°
C2	C3	C6	O6	98.7°	180.0°
C3	C2	O7	CA	167.1°	150.0°
O7	C2	C3	C4	91.5°	65.0°
O7	C2	C3	C6	30.5°	55.0°
O7	C2	C3	H3	150.7°	175.0°
H2	C2	C3	C4	30.0°	55.0°
H2	C2	C3	C6	151.9°	175.0°
H2	C2	C3	H3	87.8°	65.0°
H2	C2	O7	CA	71.6°	30.0°
C4	C3	C6	H3	121.4°	120.0°
C3	C4	C5	H41	121.6°	120.0°
C3	C4	C5	H42	121.7°	120.0°
C3	C4	H41	H42	114.6°	120.0°
C3	C4	C5	O3	120.6°	0.0°
C3	C4	C5	O4	44.7°	179.9°
C4	C3	C6	O5	156.8°	120.0°
C4	C3	C6	O6	18.8°	60.0°
C6	C3	C4	C5	94.7°	65.0°
C6	C3	C4	H41	27.0°	55.0°
C6	C3	C4	H42	143.6°	175.0°
C3	C6	O5	O6	175.2°	180.0°
C3	C6	O6	HO6	175.2°	180.0°
H3	C3	C4	C5	26.1°	55.0°
H3	C3	C4	H41	147.8°	175.0°
H3	C3	C4	H42	95.6°	65.0°
H3	C3	C6	O5	35.4°	120.0°
H3	C3	C6	O6	140.2°	60.0°
C5	C4	H41	H42	114.6°	120.0°
C4	C5	O3	O4	164.6°	179.9°
C4	C5	O4	HO4	165.7°	180.0°
H41	C4	C5	O3	117.7°	120.0°
H41	C4	C5	O4	76.9°	60.0°
H42	C4	C5	O3	1.1°	120.0°
H42	C4	C5	O4	166.4°	60.1°
O3	C5	O4	HO4	0.0°	0.1°
O5	C6	O6	HO6	0.0°	0.0°

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