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Summary Geometry Related PDB entries

HIO

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	O11	doub	1.21Å	1.22Å
C1	O12	sing	1.35Å	1.38Å
C1	C2	sing	1.49Å	1.52Å
O12	H12	sing	0.97Å	0.95Å
C2	O2	doub	1.21Å	1.28Å
C2	N3	sing	1.35Å	1.40Å
N3	O3	sing	1.42Å	1.40Å
N3	C4	sing	1.46Å	1.51Å
O3	HO3	sing	0.97Å	0.95Å
C4	C41	sing	1.53Å	1.56Å
C4	C42	sing	1.53Å	1.51Å
C4	H4	sing	1.09Å	1.11Å
C41	H411	sing	1.09Å	1.11Å
C41	H412	sing	1.09Å	1.11Å
C41	H413	sing	1.09Å	1.11Å
C42	H421	sing	1.09Å	1.11Å
C42	H422	sing	1.09Å	1.12Å
C42	H423	sing	1.09Å	1.12Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O11	C1	O12	116.9°	120.0°
O11	C1	C2	125.8°	120.0°
O12	C1	C2	116.1°	120.0°
C1	O12	H12	116.9°	120.0°
C1	C2	O2	116.9°	120.0°
C1	C2	N3	122.5°	120.0°
O2	C2	N3	120.3°	120.0°
C2	N3	O3	113.3°	120.0°
C2	N3	C4	124.7°	120.0°
O3	N3	C4	117.5°	120.0°
N3	O3	HO3	113.3°	106.8°
N3	C4	C41	117.4°	109.5°
N3	C4	C42	105.3°	109.5°
N3	C4	H4	107.3°	109.5°
C41	C4	C42	110.1°	109.5°
C41	C4	H4	102.3°	109.4°
C4	C41	H411	117.3°	109.5°
C4	C41	H412	109.3°	109.6°
C4	C41	H413	109.3°	109.5°
C42	C4	H4	115.0°	109.4°
C4	C42	H421	105.3°	109.4°
C4	C42	H422	113.8°	109.5°
C4	C42	H423	113.8°	109.5°
H411	C41	H412	109.4°	109.4°
H411	C41	H413	109.4°	109.4°
H412	C41	H413	100.8°	109.4°
H421	C42	H422	113.8°	109.5°
H421	C42	H423	113.8°	109.4°
H422	C42	H423	96.7°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O11	C1	O12	C2	168.5°	179.9°
O11	C1	O12	H12	179.9°	0.2°
O11	C1	C2	O2	164.1°	174.9°
O11	C1	C2	N3	22.4°	5.1°
O12	C1	C2	O2	3.2°	5.0°
O12	C1	C2	N3	170.3°	175.0°
C2	C1	O12	H12	11.5°	179.9°
C1	C2	O2	N3	173.7°	180.0°
C1	C2	N3	O3	146.5°	7.5°
C1	C2	N3	C4	8.8°	172.5°
O2	C2	N3	O3	40.1°	172.5°
O2	C2	N3	C4	164.5°	7.5°
C2	N3	O3	C4	157.3°	180.0°
C2	N3	O3	HO3	179.9°	6.8°
C2	N3	C4	C41	122.3°	60.1°
C2	N3	C4	C42	114.9°	60.0°
C2	N3	C4	H4	8.0°	180.0°
O3	N3	C4	C41	83.3°	120.0°
O3	N3	C4	C42	39.5°	119.9°
O3	N3	C4	H4	162.4°	0.1°
C4	N3	O3	HO3	22.7°	173.2°
N3	C4	C41	C42	120.3°	120.1°
N3	C4	C41	H4	117.1°	120.0°
N3	C4	C42	H4	117.8°	120.0°
N3	C4	C41	H411	180.0°	180.0°
N3	C4	C41	H412	54.7°	60.0°
N3	C4	C41	H413	54.8°	60.1°
N3	C4	C42	H421	180.0°	60.0°
N3	C4	C42	H422	54.7°	59.9°
N3	C4	C42	H423	54.7°	180.0°
C41	C4	C42	H4	114.8°	119.9°
C4	C41	H411	H412	125.3°	120.1°
C4	C41	H411	H413	125.2°	120.0°
C4	C41	H412	H413	115.1°	120.0°
C41	C4	C42	H421	52.7°	60.0°
C41	C4	C42	H422	72.7°	180.0°
C41	C4	C42	H423	177.9°	59.9°
C42	C4	C41	H411	59.7°	59.9°
C42	C4	C41	H412	175.0°	180.0°
C42	C4	C41	H413	65.6°	60.0°
C4	C42	H421	H422	125.3°	120.0°
C4	C42	H421	H423	125.3°	120.0°
C4	C42	H422	H423	119.7°	120.1°
H4	C4	C41	H411	63.0°	60.0°
H4	C4	C41	H412	62.3°	60.0°
H4	C4	C41	H413	171.8°	180.0°
H4	C4	C42	H421	62.1°	179.9°
H4	C4	C42	H422	172.6°	60.1°
H4	C4	C42	H423	63.1°	60.0°
H411	C41	H412	H413	115.2°	119.9°
H421	C42	H422	H423	119.6°	120.0°

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