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Summary Geometry Related PDB entries

XQ0

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O3	C3	sing	1.36Å	1.36Å
C3	C2	sing	1.40Å	1.40Å	Aromatic
C3	C4	doub	1.38Å	1.39Å	Aromatic
C2	C1	doub	1.36Å	1.39Å	Aromatic
C4	C5	sing	1.39Å	1.39Å	Aromatic
C5	C6	doub	1.41Å	1.37Å	Aromatic
C5	N2	sing	1.37Å	1.35Å	Aromatic
C6	C1	sing	1.40Å	1.39Å	Aromatic
C6	C7	sing	1.46Å	1.38Å	Aromatic
N2	N1	sing	1.40Å	1.31Å	Aromatic
N1	C7	doub	1.30Å	1.36Å	Aromatic
C7	C8	sing	1.51Å	1.51Å
O3	H3	sing	0.97Å	0.95Å
C2	H2	sing	1.08Å	1.08Å
C4	H4	sing	1.08Å	1.08Å
C1	H1	sing	1.08Å	1.08Å
N2	HA	sing	0.97Å	1.00Å
C8	H81C	sing	1.09Å	1.10Å
C8	H82C	sing	1.09Å	1.10Å
C8	H83C	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O3	C3	C2	119.8°	119.7°
O3	C3	C4	119.7°	119.8°
C3	O3	H3	109.5°	114.0°
C2	C3	C4	120.5°	120.6°
C3	C2	C1	120.6°	120.5°
C3	C2	H2	119.7°	119.7°
C3	C4	C5	118.3°	119.7°
C3	C4	H4	120.8°	120.1°
C2	C1	C6	118.1°	119.9°
C1	C2	H2	119.7°	119.8°
C2	C1	H1	120.9°	120.1°
C4	C5	C6	121.0°	119.5°
C4	C5	N2	131.0°	133.7°
C5	C4	H4	120.8°	120.2°
C6	C5	N2	108.0°	106.8°
C5	C6	C1	121.5°	119.8°
C5	C6	C7	106.8°	106.3°
C5	N2	N1	108.6°	109.0°
C5	N2	HA	125.7°	125.5°
C1	C6	C7	131.7°	133.9°
C6	C1	H1	121.0°	120.0°
C6	C7	N1	106.4°	107.8°
C6	C7	C8	126.8°	126.1°
N2	N1	C7	110.3°	110.1°
N1	N2	HA	125.7°	125.5°
N1	C7	C8	126.8°	126.1°
C7	C8	H81C	109.5°	109.5°
C7	C8	H82C	109.5°	109.5°
C7	C8	H83C	109.4°	109.5°
H81C	C8	H82C	109.5°	109.4°
H81C	C8	H83C	109.5°	109.4°
H82C	C8	H83C	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O3	C3	C2	C4	180.0°	179.7°
O3	C3	C2	C1	180.0°	180.0°
O3	C3	C4	C5	180.0°	180.0°
O3	C3	C2	H2	0.0°	0.0°
O3	C3	C4	H4	0.0°	0.0°
C3	C2	C1	H2	180.0°	179.9°
C2	C3	C4	C5	0.0°	0.3°
C3	C2	C1	C6	0.1°	0.0°
C2	C3	O3	H3	180.0°	90.1°
C2	C3	C4	H4	179.9°	179.8°
C3	C2	C1	H1	179.9°	179.9°
C4	C3	C2	C1	0.1°	0.2°
C3	C4	C5	H4	180.0°	180.0°
C3	C4	C5	C6	0.0°	0.0°
C3	C4	C5	N2	180.0°	180.0°
C4	C3	O3	H3	0.0°	90.2°
C4	C3	C2	H2	180.0°	179.7°
C2	C1	C6	C5	0.1°	0.3°
C2	C1	C6	H1	180.0°	179.9°
C2	C1	C6	C7	180.0°	179.9°
C4	C5	C6	N2	179.9°	180.0°
C4	C5	C6	C1	0.1°	0.2°
C4	C5	C6	C7	180.0°	180.0°
C4	C5	N2	N1	180.0°	180.0°
C4	C5	N2	HA	0.0°	0.0°
C5	C6	C1	C7	179.9°	179.6°
C6	C5	N2	N1	0.0°	0.0°
C5	C6	C7	N1	0.0°	0.0°
C5	C6	C7	C8	180.0°	180.0°
C6	C5	C4	H4	179.9°	180.0°
C5	C6	C1	H1	179.9°	179.8°
C6	C5	N2	HA	180.0°	179.9°
N2	C5	C6	C1	180.0°	179.7°
N2	C5	C6	C7	0.0°	0.0°
C5	N2	N1	HA	180.0°	179.9°
C5	N2	N1	C7	0.0°	0.0°
N2	C5	C4	H4	0.0°	0.0°
C1	C6	C7	N1	179.9°	179.7°
C1	C6	C7	C8	0.1°	0.4°
C6	C1	C2	H2	179.9°	179.9°
C6	C7	N1	N2	0.0°	0.0°
C6	C7	N1	C8	180.0°	180.0°
C7	C6	C1	H1	0.0°	0.2°
C6	C7	C8	H81C	180.0°	90.0°
C6	C7	C8	H82C	60.0°	150.0°
C6	C7	C8	H83C	60.0°	29.9°
N2	N1	C7	C8	180.0°	179.9°
C7	N1	N2	HA	180.0°	179.9°
N1	C7	C8	H81C	0.0°	90.0°
N1	C7	C8	H82C	120.0°	30.0°
N1	C7	C8	H83C	120.0°	150.0°
C7	C8	H81C	H82C	120.0°	120.0°
C7	C8	H81C	H83C	120.0°	120.0°
C7	C8	H82C	H83C	120.0°	120.0°
H2	C2	C1	H1	0.1°	0.2°
H81C	C8	H82C	H83C	120.0°	119.9°

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