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Summary Geometry Related PDB entries

3XH

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C10	O11	doub	1.21Å	1.25Å
C9	C10	sing	1.51Å	1.50Å
C10	O12	sing	1.34Å	1.25Å
O12	HO12	sing	0.97Å	0.95Å
N8	C9	sing	1.46Å	1.45Å
C9	H9	sing	1.09Å	1.10Å
C9	H9A	sing	1.09Å	1.10Å
C7	N8	sing	1.35Å	1.33Å
N8	HN8	sing	0.97Å	1.00Å
O14	C7	doub	1.22Å	1.22Å
C6	C7	sing	1.48Å	1.50Å
C1	C6	doub	1.39Å	1.39Å	Aromatic
C6	C5	sing	1.40Å	1.40Å	Aromatic
C4	C5	doub	1.38Å	1.40Å	Aromatic
C5	H5	sing	1.08Å	1.08Å
C3	C4	sing	1.38Å	1.39Å	Aromatic
C4	H4	sing	1.08Å	1.08Å
C2	C3	doub	1.39Å	1.40Å	Aromatic
C3	H3	sing	1.08Å	1.08Å
O13	C2	sing	1.36Å	1.36Å
C2	C1	sing	1.39Å	1.39Å	Aromatic
O13	HO13	sing	0.97Å	0.95Å
C1	H1	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O11	C10	C9	119.2°	120.0°
O11	C10	O12	123.8°	120.1°
C9	C10	O12	117.0°	120.0°
C10	C9	N8	113.5°	109.5°
C10	C9	H9	108.2°	109.5°
C10	C9	H9A	107.2°	109.5°
C10	O12	HO12	109.5°	117.0°
N8	C9	H9	108.1°	109.5°
N8	C9	H9A	107.3°	109.5°
C9	N8	C7	126.5°	120.0°
C9	N8	HN8	116.7°	120.0°
H9	C9	H9A	112.7°	109.5°
C7	N8	HN8	116.7°	120.0°
N8	C7	O14	122.0°	120.0°
N8	C7	C6	118.8°	120.0°
O14	C7	C6	119.1°	120.0°
C7	C6	C1	117.9°	120.1°
C7	C6	C5	122.0°	120.1°
C1	C6	C5	120.1°	119.8°
C6	C1	C2	120.0°	119.8°
C6	C1	H1	120.0°	120.1°
C6	C5	C4	119.9°	119.9°
C6	C5	H5	120.1°	120.1°
C4	C5	H5	120.0°	120.0°
C5	C4	C3	120.0°	120.2°
C5	C4	H4	120.0°	119.9°
C3	C4	H4	120.0°	119.9°
C4	C3	C2	119.9°	120.3°
C4	C3	H3	120.1°	119.8°
C2	C3	H3	120.0°	119.9°
C3	C2	O13	121.3°	120.0°
C3	C2	C1	120.2°	120.0°
O13	C2	C1	118.4°	120.0°
C2	O13	HO13	109.5°	114.0°
C2	C1	H1	120.0°	120.1°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O11	C10	C9	O12	179.7°	179.8°
O11	C10	O12	HO12	0.0°	0.1°
O11	C10	C9	N8	14.4°	0.1°
O11	C10	C9	H9	105.6°	120.0°
O11	C10	C9	H9A	132.6°	120.1°
C9	C10	O12	HO12	179.7°	179.8°
C10	C9	N8	H9	120.0°	120.0°
C10	C9	N8	H9A	118.2°	120.0°
C10	C9	H9	H9A	118.4°	120.0°
C10	C9	N8	C7	102.3°	180.0°
C10	C9	N8	HN8	77.7°	0.0°
O12	C10	C9	N8	165.3°	179.8°
O12	C10	C9	H9	74.7°	60.2°
O12	C10	C9	H9A	47.1°	59.8°
N8	C9	H9	H9A	118.3°	120.0°
C9	N8	C7	HN8	180.0°	180.0°
C9	N8	C7	O14	0.4°	0.0°
C9	N8	C7	C6	178.3°	180.0°
H9	C9	N8	C7	17.8°	60.0°
H9	C9	N8	HN8	162.3°	120.0°
H9A	C9	N8	C7	139.5°	60.0°
H9A	C9	N8	HN8	40.5°	120.0°
N8	C7	O14	C6	177.8°	180.0°
N8	C7	C6	C1	143.3°	179.8°
N8	C7	C6	C5	34.7°	0.0°
HN8	N8	C7	O14	179.6°	180.0°
HN8	N8	C7	C6	1.7°	0.0°
O14	C7	C6	C1	34.6°	0.3°
O14	C7	C6	C5	147.4°	180.0°
C7	C6	C1	C5	178.0°	179.7°
C7	C6	C5	C4	178.7°	180.0°
C7	C6	C5	H5	1.3°	0.0°
C7	C6	C1	C2	178.7°	179.8°
C7	C6	C1	H1	1.3°	0.2°
C1	C6	C5	C4	0.8°	0.3°
C1	C6	C5	H5	179.2°	179.7°
C6	C1	C2	C3	0.4°	0.5°
C6	C1	C2	O13	179.9°	179.8°
C6	C1	C2	H1	180.0°	179.5°
C6	C5	C4	H5	180.0°	180.0°
C6	C5	C4	C3	0.6°	0.0°
C6	C5	C4	H4	179.5°	180.0°
C5	C6	C1	C2	0.7°	0.5°
C5	C6	C1	H1	179.3°	180.0°
C5	C4	C3	H4	180.0°	180.0°
C5	C4	C3	C2	0.2°	0.0°
C5	C4	C3	H3	179.8°	180.0°
H5	C5	C4	C3	179.5°	180.0°
H5	C5	C4	H4	0.5°	0.0°
C4	C3	C2	H3	180.0°	179.9°
C4	C3	C2	O13	179.9°	180.0°
C4	C3	C2	C1	0.1°	0.3°
H4	C4	C3	C2	179.8°	180.0°
H4	C4	C3	H3	0.2°	0.0°
C3	C2	O13	C1	179.7°	179.7°
C3	C2	O13	HO13	34.3°	90.0°
C3	C2	C1	H1	179.6°	180.0°
H3	C3	C2	O13	0.1°	0.1°
H3	C3	C2	C1	179.9°	179.8°
O13	C2	C1	H1	0.1°	0.2°
C1	C2	O13	HO13	145.4°	89.7°

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