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Summary Geometry Related PDB entries

R9S

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N	C8	sing	1.35Å	1.32Å
O	C8	doub	1.21Å	1.23Å
C8	C7	sing	1.51Å	1.54Å
C	C1	sing	1.51Å	1.50Å
C2	C1	doub	1.38Å	1.40Å	Aromatic
C2	C3	sing	1.38Å	1.38Å	Aromatic
C1	C6	sing	1.38Å	1.40Å	Aromatic
C3	C4	doub	1.38Å	1.38Å	Aromatic
C6	C7	sing	1.51Å	1.51Å
C6	C5	doub	1.38Å	1.39Å	Aromatic
C4	C5	sing	1.38Å	1.38Å	Aromatic
C4	H1	sing	1.08Å	1.08Å
C5	H2	sing	1.08Å	1.08Å
C7	H3	sing	1.09Å	1.10Å
C7	H4	sing	1.09Å	1.10Å
N	H5	sing	0.97Å	1.00Å
N	H6	sing	0.97Å	1.00Å
C	H7	sing	1.09Å	1.10Å
C	H8	sing	1.09Å	1.10Å
C	H9	sing	1.09Å	1.10Å
C3	H10	sing	1.08Å	1.08Å
C2	H11	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N	C8	O	122.9°	120.0°
N	C8	C7	116.0°	120.0°
C8	N	H5	120.0°	120.0°
C8	N	H6	120.0°	119.9°
O	C8	C7	121.1°	120.0°
C8	C7	C6	112.6°	109.5°
C8	C7	H3	108.7°	109.5°
C8	C7	H4	108.6°	109.5°
C	C1	C2	120.0°	120.0°
C	C1	C6	121.3°	120.0°
C1	C	H7	109.5°	109.5°
C1	C	H8	109.5°	109.5°
C1	C	H9	109.5°	109.4°
C1	C2	C3	121.4°	120.0°
C2	C1	C6	118.7°	120.0°
C1	C2	H11	119.3°	120.0°
C2	C3	C4	119.7°	120.0°
C2	C3	H10	120.1°	120.0°
C3	C2	H11	119.3°	120.0°
C1	C6	C7	120.5°	120.0°
C1	C6	C5	119.3°	120.0°
C3	C4	C5	120.0°	120.0°
C3	C4	H1	120.0°	120.0°
C4	C3	H10	120.2°	120.0°
C7	C6	C5	120.2°	120.0°
C6	C7	H3	108.7°	109.5°
C6	C7	H4	108.7°	109.5°
C6	C5	C4	120.9°	120.0°
C6	C5	H2	119.5°	120.0°
C5	C4	H1	120.0°	120.0°
C4	C5	H2	119.6°	120.0°
H3	C7	H4	109.5°	109.4°
H5	N	H6	120.0°	120.1°
H7	C	H8	109.5°	109.5°
H7	C	H9	109.4°	109.5°
H8	C	H9	109.4°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N	C8	O	C7	179.9°	179.9°
N	C8	C7	C6	113.3°	180.0°
N	C8	C7	H3	126.2°	60.0°
N	C8	C7	H4	7.2°	59.9°
C8	N	H5	H6	180.0°	179.9°
O	C8	C7	C6	66.8°	0.1°
O	C8	C7	H3	53.7°	120.0°
O	C8	C7	H4	172.7°	120.0°
O	C8	N	H5	0.0°	179.9°
O	C8	N	H6	180.0°	0.1°
C8	C7	C6	C1	83.6°	85.1°
C8	C7	C6	H3	120.5°	120.0°
C8	C7	C6	H4	120.4°	120.1°
C8	C7	C6	C5	95.8°	95.0°
C8	C7	H3	H4	118.5°	120.0°
C7	C8	N	H5	179.9°	0.1°
C7	C8	N	H6	0.1°	180.0°
C	C1	C2	C6	177.8°	179.9°
C	C1	C2	C3	175.6°	179.7°
C	C1	C6	C7	4.4°	0.0°
C	C1	C6	C5	176.2°	179.9°
C1	C	H7	H8	120.0°	120.1°
C1	C	H7	H9	120.0°	120.0°
C1	C	H8	H9	120.0°	119.9°
C	C1	C2	H11	4.4°	0.1°
C1	C2	C3	H11	180.0°	179.9°
C1	C2	C3	C4	0.8°	0.4°
C2	C1	C6	C7	177.8°	179.9°
C2	C1	C6	C5	1.6°	0.0°
C2	C1	C	H7	88.9°	89.9°
C2	C1	C	H8	151.1°	30.1°
C2	C1	C	H9	31.1°	150.0°
C1	C2	C3	H10	179.2°	179.9°
C3	C2	C1	C6	2.3°	0.2°
C2	C3	C4	H10	180.0°	179.5°
C2	C3	C4	C5	1.2°	0.5°
C2	C3	C4	H1	178.8°	179.8°
C1	C6	C7	C5	179.4°	179.9°
C1	C6	C5	C4	0.4°	0.1°
C1	C6	C5	H2	179.6°	180.0°
C1	C6	C7	H3	155.9°	155.0°
C1	C6	C7	H4	36.9°	35.0°
C6	C1	C	H7	88.9°	90.0°
C6	C1	C	H8	31.1°	150.0°
C6	C1	C	H9	151.1°	30.1°
C6	C1	C2	H11	177.7°	180.0°
C3	C4	C5	C6	1.9°	0.4°
C3	C4	C5	H1	180.0°	179.7°
C3	C4	C5	H2	178.2°	179.7°
C4	C3	C2	H11	179.1°	179.7°
C7	C6	C5	C4	179.8°	180.0°
C7	C6	C5	H2	0.2°	0.1°
C6	C7	H3	H4	118.6°	120.0°
C6	C5	C4	H2	180.0°	179.9°
C6	C5	C4	H1	178.1°	180.0°
C5	C6	C7	H3	24.7°	25.0°
C5	C6	C7	H4	143.8°	144.9°
C5	C4	C3	H10	178.8°	180.0°
H1	C4	C5	H2	1.9°	0.0°
H1	C4	C3	H10	1.2°	0.3°
H7	C	H8	H9	119.9°	120.0°
H10	C3	C2	H11	0.9°	0.2°

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