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Summary Geometry Related PDB entries

90R

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O1	C6	sing	1.36Å	1.37Å
O3	C5	doub	1.22Å	1.22Å
C6	C9	doub	1.40Å	1.40Å	Aromatic
C6	C2	sing	1.40Å	1.42Å	Aromatic
C9	C10	sing	1.38Å	1.39Å	Aromatic
C5	C2	sing	1.47Å	1.52Å
C5	C7	sing	1.48Å	1.52Å
C2	C1	doub	1.41Å	1.40Å	Aromatic
C10	C8	doub	1.39Å	1.40Å	Aromatic
C7	C3	doub	1.34Å	1.54Å
C1	C8	sing	1.39Å	1.41Å	Aromatic
C1	C4	sing	1.48Å	1.50Å
C4	C3	sing	1.47Å	1.54Å
C4	O2	doub	1.21Å	1.44Å
C3	C11	sing	1.51Å	1.54Å
O1	H1	sing	0.97Å	0.95Å
C9	H2	sing	1.08Å	1.08Å
C10	H3	sing	1.08Å	1.08Å
C8	H4	sing	1.08Å	1.08Å
C11	H8	sing	1.09Å	1.10Å
C11	H9	sing	1.09Å	1.10Å
C11	H10	sing	1.09Å	1.10Å
C7	H11	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1	C6	C9	117.3°	120.2°
O1	C6	C2	122.2°	120.2°
C6	O1	H1	109.5°	114.0°
O3	C5	C2	119.9°	120.1°
O3	C5	C7	118.5°	120.1°
C9	C6	C2	120.5°	119.6°
C6	C9	C10	119.8°	120.3°
C6	C9	H2	120.1°	119.8°
C6	C2	C5	121.1°	120.9°
C6	C2	C1	119.8°	119.7°
C9	C10	C8	120.0°	120.6°
C10	C9	H2	120.1°	119.8°
C9	C10	H3	120.0°	119.7°
C2	C5	C7	121.5°	119.8°
C5	C2	C1	119.1°	119.3°
C5	C7	C3	115.9°	120.9°
C5	C7	H11	122.0°	119.5°
C2	C1	C8	118.9°	119.8°
C2	C1	C4	122.2°	119.4°
C10	C8	C1	121.0°	120.0°
C8	C10	H3	120.0°	119.8°
C10	C8	H4	119.5°	120.0°
C7	C3	C4	114.7°	120.9°
C7	C3	C11	111.0°	119.6°
C3	C7	H11	122.1°	119.5°
C8	C1	C4	118.9°	120.9°
C1	C8	H4	119.5°	120.0°
C1	C4	C3	117.3°	119.7°
C1	C4	O2	111.0°	120.1°
C3	C4	O2	107.5°	120.2°
C4	C3	C11	109.3°	119.6°
C3	C11	H8	109.5°	109.5°
C3	C11	H9	109.4°	109.5°
C3	C11	H10	109.5°	109.5°
H8	C11	H9	109.4°	109.5°
H8	C11	H10	109.5°	109.5°
H9	C11	H10	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C6	C9	C2	179.2°	179.9°
O1	C6	C9	C10	179.9°	180.0°
O1	C6	C2	C5	0.6°	0.1°
O1	C6	C2	C1	179.4°	180.0°
O1	C6	C9	H2	0.0°	0.0°
O3	C5	C2	C6	4.2°	0.1°
O3	C5	C2	C7	178.0°	179.8°
O3	C5	C2	C1	175.8°	180.0°
O3	C5	C7	C3	168.6°	179.8°
O3	C5	C7	H11	11.4°	0.0°
C6	C9	C10	H2	180.0°	179.9°
C9	C6	C2	C5	179.8°	180.0°
C9	C6	C2	C1	0.3°	0.1°
C6	C9	C10	C8	0.3°	0.1°
C9	C6	O1	H1	178.6°	89.9°
C6	C9	C10	H3	179.7°	180.0°
C2	C6	C9	C10	0.8°	0.1°
C6	C2	C5	C1	179.9°	179.9°
C6	C2	C5	C7	177.8°	179.7°
C6	C2	C1	C8	0.7°	0.1°
C6	C2	C1	C4	178.4°	179.9°
C2	C6	O1	H1	2.2°	90.0°
C2	C6	C9	H2	179.2°	180.0°
C9	C10	C8	H3	180.0°	179.9°
C9	C10	C8	C1	0.7°	0.1°
C9	C10	C8	H4	179.3°	180.0°
C2	C5	C7	C3	13.4°	0.5°
C5	C2	C1	C8	179.3°	180.0°
C5	C2	C1	C4	1.5°	0.0°
C2	C5	C7	H11	166.7°	179.7°
C7	C5	C2	C1	2.3°	0.2°
C5	C7	C3	H11	180.0°	179.8°
C5	C7	C3	C4	31.3°	0.5°
C5	C7	C3	C11	155.7°	179.8°
C2	C1	C8	C10	1.2°	0.1°
C2	C1	C8	C4	177.8°	180.0°
C2	C1	C4	C3	20.9°	0.0°
C2	C1	C4	O2	144.9°	180.0°
C2	C1	C8	H4	178.9°	180.0°
C10	C8	C1	H4	180.0°	179.9°
C10	C8	C1	C4	179.0°	179.9°
C8	C10	C9	H2	179.7°	180.0°
C7	C3	C4	C1	35.4°	0.2°
C7	C3	C4	C11	125.3°	179.8°
C7	C3	C4	O2	161.2°	179.8°
C7	C3	C11	H8	180.0°	89.8°
C7	C3	C11	H9	60.0°	30.3°
C7	C3	C11	H10	60.0°	150.2°
C8	C1	C4	C3	161.4°	180.0°
C8	C1	C4	O2	37.3°	0.0°
C1	C8	C10	H3	179.3°	180.0°
C1	C4	C3	O2	125.8°	180.0°
C1	C4	C3	C11	160.8°	180.0°
C4	C1	C8	H4	1.0°	0.0°
C4	C3	C11	H8	52.6°	90.0°
C4	C3	C11	H9	172.6°	150.0°
C4	C3	C11	H10	67.4°	30.0°
C4	C3	C7	H11	148.7°	179.7°
O2	C4	C3	C11	73.4°	0.0°
C3	C11	H8	H9	120.0°	120.0°
C3	C11	H8	H10	120.0°	120.0°
C3	C11	H9	H10	120.0°	120.0°
C11	C3	C7	H11	24.3°	0.1°
H2	C9	C10	H3	0.3°	0.0°
H3	C10	C8	H4	0.7°	0.0°
H8	C11	H9	H10	120.0°	120.0°

218853

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