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Summary Geometry Related PDB entries

HH3

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C7	O1	doub	1.22Å	1.22Å
O2	C9	sing	1.43Å	1.43Å
O2	HO2	sing	0.97Å	0.95Å
C2	C1	doub	1.38Å	1.40Å	Aromatic
C1	C6	sing	1.38Å	1.40Å	Aromatic
C1	H1	sing	1.08Å	1.08Å
C6	C5	doub	1.38Å	1.39Å	Aromatic
C6	H6	sing	1.08Å	1.08Å
C4	C5	sing	1.40Å	1.39Å	Aromatic
C5	H5	sing	1.08Å	1.08Å
C3	C4	doub	1.40Å	1.39Å	Aromatic
C4	C7	sing	1.48Å	1.50Å
C2	C3	sing	1.38Å	1.39Å	Aromatic
C3	H3	sing	1.08Å	1.08Å
C2	H2	sing	1.08Å	1.08Å
C7	N1	sing	1.35Å	1.33Å
N1	C9	sing	1.46Å	1.45Å
N1	HN1	sing	0.97Å	1.00Å
C10	C9	sing	1.51Å	1.51Å
C9	H9	sing	1.09Å	1.10Å
O4	C10	doub	1.21Å	1.25Å
C10	O3	sing	1.34Å	1.25Å
O3	HO3	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1	C7	C4	118.3°	120.0°
O1	C7	N1	122.6°	120.0°
C9	O2	HO2	109.5°	114.0°
O2	C9	N1	109.1°	109.5°
O2	C9	C10	111.2°	109.5°
O2	C9	H9	110.1°	109.5°
C2	C1	C6	120.1°	120.3°
C2	C1	H1	120.0°	119.9°
C1	C2	C3	119.9°	120.1°
C1	C2	H2	120.1°	119.9°
C6	C1	H1	119.9°	119.9°
C1	C6	C5	119.9°	120.2°
C1	C6	H6	120.1°	119.9°
C5	C6	H6	120.1°	119.9°
C6	C5	C4	120.0°	119.8°
C6	C5	H5	120.0°	120.1°
C4	C5	H5	120.0°	120.1°
C5	C4	C3	120.1°	119.7°
C5	C4	C7	119.7°	120.2°
C3	C4	C7	120.1°	120.1°
C4	C3	C2	120.0°	119.9°
C4	C3	H3	120.0°	120.1°
C4	C7	N1	119.1°	120.0°
C2	C3	H3	120.0°	120.1°
C3	C2	H2	120.0°	119.9°
C7	N1	C9	122.2°	120.0°
C7	N1	HN1	118.9°	120.0°
C9	N1	HN1	118.9°	120.0°
N1	C9	C10	113.6°	109.5°
N1	C9	H9	107.5°	109.4°
C10	C9	H9	105.2°	109.4°
C9	C10	O4	119.7°	120.1°
C9	C10	O3	118.0°	119.9°
O4	C10	O3	122.3°	120.0°
C10	O3	HO3	109.5°	117.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C7	C4	C5	61.7°	0.0°
O1	C7	C4	C3	118.0°	180.0°
O1	C7	C4	N1	179.8°	180.0°
O1	C7	N1	C9	10.5°	0.0°
O1	C7	N1	HN1	169.5°	180.0°
O2	C9	N1	C7	64.0°	100.0°
O2	C9	N1	C10	124.7°	120.1°
O2	C9	N1	H9	119.3°	120.0°
O2	C9	N1	HN1	116.1°	80.1°
O2	C9	C10	H9	119.1°	120.0°
O2	C9	C10	O4	23.4°	129.9°
O2	C9	C10	O3	156.3°	50.0°
HO2	O2	C9	N1	39.2°	60.0°
HO2	O2	C9	C10	86.9°	60.0°
HO2	O2	C9	H9	156.9°	180.0°
C2	C1	C6	H1	180.0°	179.8°
C2	C1	C6	C5	0.2°	0.3°
C2	C1	C6	H6	179.8°	179.7°
C1	C2	C3	C4	0.0°	0.6°
C1	C2	C3	H2	180.0°	179.4°
C1	C2	C3	H3	180.0°	179.7°
C1	C6	C5	H6	180.0°	180.0°
C1	C6	C5	C4	0.1°	0.0°
C1	C6	C5	H5	179.9°	180.0°
C6	C1	C2	C3	0.2°	0.6°
C6	C1	C2	H2	179.8°	180.0°
H1	C1	C6	C5	179.8°	179.9°
H1	C1	C6	H6	0.2°	0.0°
H1	C1	C2	C3	179.8°	179.7°
H1	C1	C2	H2	0.2°	0.3°
C6	C5	C4	H5	180.0°	180.0°
C6	C5	C4	C3	0.1°	0.0°
C6	C5	C4	C7	179.8°	180.0°
H6	C6	C5	C4	179.9°	180.0°
H6	C6	C5	H5	0.1°	0.0°
C5	C4	C3	C7	179.7°	180.0°
C5	C4	C3	C2	0.2°	0.3°
C5	C4	C3	H3	179.8°	180.0°
C5	C4	C7	N1	118.1°	180.0°
H5	C5	C4	C3	179.9°	180.0°
H5	C5	C4	C7	0.2°	0.0°
C4	C3	C2	H3	180.0°	179.7°
C4	C3	C2	H2	180.0°	180.0°
C3	C4	C7	N1	62.2°	0.1°
C7	C4	C3	C2	179.9°	179.7°
C7	C4	C3	H3	0.1°	0.1°
C4	C7	N1	C9	169.7°	180.0°
C4	C7	N1	HN1	10.3°	0.1°
H3	C3	C2	H2	0.0°	0.4°
C7	N1	C9	HN1	180.0°	179.9°
C7	N1	C9	C10	171.3°	139.9°
C7	N1	C9	H9	55.4°	20.0°
N1	C9	C10	H9	117.3°	120.0°
N1	C9	C10	O4	100.1°	110.0°
N1	C9	C10	O3	80.1°	70.1°
HN1	N1	C9	C10	8.7°	40.0°
HN1	N1	C9	H9	124.6°	159.9°
C9	C10	O4	O3	179.7°	179.9°
C9	C10	O3	HO3	179.7°	180.0°
H9	C9	C10	O4	142.6°	9.9°
H9	C9	C10	O3	37.2°	170.0°
O4	C10	O3	HO3	0.0°	0.1°

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PDB entries from 2024-07-17

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