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Summary Geometry Related PDB entries

ASR

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
AS	O1	doub	1.58Å	1.73Å
AS	O2	sing	1.84Å	1.73Å
AS	O3	sing	1.84Å	1.72Å
AS	C1	sing	1.99Å	1.94Å
O2	HO2	sing	0.97Å	0.95Å
O3	HO3	sing	0.97Å	0.95Å
C1	C2	doub	1.38Å	1.43Å	Aromatic
C1	C6	sing	1.38Å	1.42Å	Aromatic
C2	C3	sing	1.38Å	1.41Å	Aromatic
C2	H2	sing	1.08Å	1.10Å
C3	C4	doub	1.39Å	1.43Å	Aromatic
C3	H3	sing	1.08Å	1.10Å
C4	C5	sing	1.39Å	1.44Å	Aromatic
C4	N7	sing	1.40Å	1.49Å
C5	C6	doub	1.38Å	1.43Å	Aromatic
C5	H5	sing	1.08Å	1.10Å
C6	H6	sing	1.08Å	1.10Å
N7	H71	sing	0.97Å	1.02Å
N7	H72	sing	0.97Å	1.02Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1	AS	O2	107.6°	109.5°
O1	AS	O3	109.7°	109.4°
O1	AS	C1	109.0°	109.5°
O2	AS	O3	110.8°	109.5°
O2	AS	C1	110.5°	109.5°
AS	O2	HO2	107.6°	106.8°
O3	AS	C1	109.2°	109.5°
AS	O3	HO3	109.7°	106.8°
AS	C1	C2	119.7°	119.9°
AS	C1	C6	120.1°	119.9°
C2	C1	C6	120.2°	120.1°
C1	C2	C3	120.6°	120.0°
C1	C2	H2	120.2°	120.0°
C1	C6	C5	119.5°	120.1°
C1	C6	H6	120.1°	120.0°
C3	C2	H2	119.2°	119.9°
C2	C3	C4	119.9°	120.0°
C2	C3	H3	119.5°	120.0°
C4	C3	H3	120.6°	120.0°
C3	C4	C5	119.7°	119.8°
C3	C4	N7	120.2°	120.2°
C5	C4	N7	120.1°	120.1°
C4	C5	C6	120.2°	119.9°
C4	C5	H5	120.2°	120.0°
C4	N7	H71	108.4°	120.1°
C4	N7	H72	120.3°	120.0°
C6	C5	H5	119.6°	120.0°
C5	C6	H6	120.4°	119.9°
H71	N7	H72	108.3°	119.9°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	AS	O2	O3	119.9°	120.0°
O1	AS	O2	C1	118.9°	120.0°
O1	AS	O3	C1	119.3°	120.0°
O1	AS	O2	HO2	180.0°	59.9°
O1	AS	O3	HO3	180.0°	180.0°
O1	AS	C1	C2	60.9°	30.0°
O1	AS	C1	C6	119.6°	149.9°
O2	AS	O3	C1	121.9°	120.0°
O2	AS	O3	HO3	61.3°	60.0°
O2	AS	C1	C2	57.1°	90.0°
O2	AS	C1	C6	122.3°	90.1°
O3	AS	O2	HO2	60.0°	60.1°
O3	AS	C1	C2	179.3°	150.0°
O3	AS	C1	C6	0.1°	29.9°
C1	AS	O2	HO2	61.1°	180.0°
C1	AS	O3	HO3	60.6°	60.0°
AS	C1	C2	C6	179.4°	179.9°
AS	C1	C2	C3	179.3°	179.9°
AS	C1	C2	H2	0.7°	0.0°
AS	C1	C6	C5	179.6°	179.8°
AS	C1	C6	H6	0.4°	0.1°
C1	C2	C3	H2	180.0°	179.9°
C1	C2	C3	C4	0.1°	0.0°
C1	C2	C3	H3	179.8°	180.0°
C2	C1	C6	C5	0.2°	0.4°
C2	C1	C6	H6	179.8°	180.0°
C6	C1	C2	C3	0.1°	0.1°
C6	C1	C2	H2	179.9°	179.9°
C1	C6	C5	C4	0.4°	0.6°
C1	C6	C5	H6	180.0°	179.6°
C1	C6	C5	H5	179.6°	179.9°
C2	C3	C4	H3	180.0°	180.0°
C2	C3	C4	C5	0.1°	0.2°
C2	C3	C4	N7	180.0°	180.0°
H2	C2	C3	C4	179.8°	180.0°
H2	C2	C3	H3	0.2°	0.1°
C3	C4	C5	N7	179.9°	179.8°
C3	C4	C5	C6	0.4°	0.5°
C3	C4	C5	H5	179.6°	180.0°
C3	C4	N7	H71	54.7°	180.0°
C3	C4	N7	H72	180.0°	0.4°
H3	C3	C4	C5	179.9°	179.8°
H3	C3	C4	N7	0.1°	0.0°
C4	C5	C6	H5	180.0°	179.5°
C4	C5	C6	H6	179.6°	179.8°
C5	C4	N7	H71	125.1°	0.2°
C5	C4	N7	H72	0.2°	179.4°
N7	C4	C5	C6	179.8°	179.7°
N7	C4	C5	H5	0.2°	0.2°
C4	N7	H71	H72	132.0°	179.6°
H5	C5	C6	H6	0.4°	0.3°

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PDB entries from 2026-01-14

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