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Summary Geometry Related PDB entries

83X

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O4	C7	doub	1.21Å	1.22Å
C7	C1	sing	1.46Å	1.53Å
C7	C8	sing	1.51Å	1.51Å
O1	C2	sing	1.36Å	1.41Å
C1	C2	doub	1.41Å	1.51Å	Aromatic
C1	C6	sing	1.41Å	1.37Å	Aromatic
C2	C3	sing	1.38Å	1.34Å	Aromatic
O2	C6	sing	1.36Å	1.40Å
C6	C5	doub	1.38Å	1.52Å	Aromatic
C3	C4	doub	1.39Å	1.51Å	Aromatic
C5	C4	sing	1.39Å	1.35Å	Aromatic
C4	O3	sing	1.36Å	1.41Å
C3	H1	sing	1.08Å	1.08Å
C5	H2	sing	1.08Å	1.08Å
O1	H3	sing	0.97Å	0.95Å
O2	H4	sing	0.97Å	0.95Å
O3	H5	sing	0.97Å	0.95Å
C8	H6	sing	1.09Å	1.10Å
C8	H7	sing	1.09Å	1.10Å
C8	H8	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O4	C7	C1	124.4°	120.0°
O4	C7	C8	116.1°	120.0°
C1	C7	C8	119.3°	120.0°
C7	C1	C2	118.0°	120.2°
C7	C1	C6	123.9°	120.2°
C7	C8	H6	109.5°	109.5°
C7	C8	H7	109.5°	109.5°
C7	C8	H8	109.5°	109.5°
O1	C2	C1	119.9°	120.1°
O1	C2	C3	119.7°	120.1°
C2	O1	H3	109.5°	114.0°
C2	C1	C6	118.0°	119.5°
C1	C2	C3	120.4°	119.8°
C1	C6	O2	121.8°	120.1°
C1	C6	C5	121.8°	119.8°
C2	C3	C4	121.2°	120.3°
C2	C3	H1	119.4°	119.9°
O2	C6	C5	116.4°	120.1°
C6	O2	H4	109.5°	114.0°
C6	C5	C4	118.7°	120.2°
C6	C5	H2	120.7°	119.9°
C3	C4	C5	119.9°	120.4°
C3	C4	O3	118.5°	119.8°
C4	C3	H1	119.4°	119.9°
C5	C4	O3	121.6°	119.8°
C4	C5	H2	120.6°	119.8°
C4	O3	H5	109.5°	114.0°
H6	C8	H7	109.5°	109.5°
H6	C8	H8	109.5°	109.5°
H7	C8	H8	109.4°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O4	C7	C1	C8	174.5°	179.9°
O4	C7	C1	C2	43.0°	90.8°
O4	C7	C1	C6	139.9°	88.9°
O4	C7	C8	H6	0.0°	95.0°
O4	C7	C8	H7	120.0°	145.0°
O4	C7	C8	H8	120.0°	25.1°
C7	C1	C2	O1	3.3°	0.3°
C7	C1	C2	C6	177.3°	179.8°
C7	C1	C2	C3	178.3°	179.7°
C7	C1	C6	O2	2.2°	0.2°
C7	C1	C6	C5	177.8°	179.7°
C1	C7	C8	H6	175.0°	85.0°
C1	C7	C8	H7	65.0°	35.0°
C1	C7	C8	H8	54.9°	155.0°
C8	C7	C1	C2	131.5°	89.1°
C8	C7	C1	C6	45.6°	91.1°
C7	C8	H6	H7	120.0°	120.0°
C7	C8	H6	H8	120.0°	120.0°
C7	C8	H7	H8	120.0°	120.0°
O1	C2	C1	C3	178.5°	179.9°
O1	C2	C1	C6	179.5°	180.0°
O1	C2	C3	C4	179.6°	180.0°
O1	C2	C3	H1	0.4°	0.1°
C2	C1	C6	O2	179.3°	180.0°
C2	C1	C6	C5	0.8°	0.1°
C1	C2	C3	C4	1.1°	0.1°
C1	C2	C3	H1	178.9°	180.0°
C1	C2	O1	H3	11.1°	90.0°
C6	C1	C2	C3	1.0°	0.1°
C1	C6	O2	C5	179.9°	180.0°
C1	C6	C5	C4	0.7°	0.0°
C1	C6	C5	H2	179.3°	180.0°
C1	C6	O2	H4	180.0°	90.1°
C2	C3	C4	H1	180.0°	179.9°
C2	C3	C4	C5	1.0°	0.1°
C2	C3	C4	O3	179.5°	179.9°
C3	C2	O1	H3	167.4°	89.9°
O2	C6	C5	C4	179.4°	180.0°
O2	C6	C5	H2	0.7°	0.0°
C6	C5	C4	C3	0.8°	0.1°
C6	C5	C4	H2	180.0°	180.0°
C6	C5	C4	O3	179.8°	180.0°
C5	C6	O2	H4	0.1°	90.0°
C3	C4	C5	O3	179.4°	180.0°
C3	C4	C5	H2	179.2°	180.0°
C3	C4	O3	H5	180.0°	90.0°
C5	C4	C3	H1	179.0°	180.0°
C5	C4	O3	H5	0.6°	90.0°
O3	C4	C3	H1	0.4°	0.1°
O3	C4	C5	H2	0.2°	0.0°
H6	C8	H7	H8	120.0°	120.0°

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