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Summary Geometry Related PDB entries

8S7

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C8	C7	sing	1.53Å	1.48Å
C8	C6	sing	1.53Å	1.51Å
C7	C6	sing	1.53Å	1.50Å
C6	C5	sing	1.51Å	1.48Å
O1	C5	doub	1.21Å	1.23Å
C5	N1	sing	1.35Å	1.36Å
N1	C4	sing	1.39Å	1.39Å
C4	C3	doub	1.37Å	1.35Å	Aromatic
C4	O2	sing	1.34Å	1.34Å	Aromatic
C3	C2	sing	1.41Å	1.40Å	Aromatic
O2	N2	sing	1.21Å	1.42Å	Aromatic
C2	N2	doub	1.30Å	1.30Å	Aromatic
C2	C1	sing	1.51Å	1.49Å
N1	H1	sing	0.97Å	1.00Å
C6	H2	sing	1.09Å	1.10Å
C7	H3	sing	1.09Å	1.10Å
C7	H4	sing	1.09Å	1.10Å
C8	H5	sing	1.09Å	1.10Å
C8	H6	sing	1.09Å	1.10Å
C1	H7	sing	1.09Å	1.10Å
C1	H8	sing	1.09Å	1.10Å
C1	H9	sing	1.09Å	1.10Å
C3	H10	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C7	C8	C6	60.4°	60.0°
C8	C7	C6	60.6°	60.0°
C8	C7	H3	119.9°	117.6°
C8	C7	H4	119.9°	117.5°
C7	C8	H5	119.9°	117.5°
C7	C8	H6	119.9°	117.5°
C8	C6	C7	59.0°	60.0°
C8	C6	C5	108.9°	117.5°
C8	C6	H2	119.5°	117.5°
C6	C8	H5	119.9°	117.5°
C6	C8	H6	119.9°	117.5°
C7	C6	C5	114.6°	117.5°
C7	C6	H2	119.6°	117.5°
C6	C7	H3	119.9°	117.5°
C6	C7	H4	119.9°	117.4°
C6	C5	O1	123.5°	120.0°
C6	C5	N1	115.1°	120.0°
C5	C6	H2	120.0°	115.5°
O1	C5	N1	121.5°	120.0°
C5	N1	C4	126.4°	120.0°
C5	N1	H1	116.8°	120.1°
N1	C4	C3	129.8°	126.9°
N1	C4	O2	122.4°	126.9°
C4	N1	H1	116.8°	120.0°
C3	C4	O2	107.8°	106.2°
C4	C3	C2	108.4°	103.9°
C4	C3	H10	125.8°	128.0°
C4	O2	N2	107.7°	111.6°
C3	C2	N2	108.2°	106.5°
C3	C2	C1	126.1°	126.7°
C2	C3	H10	125.8°	128.1°
O2	N2	C2	107.9°	111.8°
N2	C2	C1	125.7°	126.8°
C2	C1	H7	109.5°	109.5°
C2	C1	H8	109.5°	109.5°
C2	C1	H9	109.5°	109.4°
H3	C7	H4	109.5°	115.6°
H5	C8	H6	109.5°	115.5°
H7	C1	H8	109.5°	109.5°
H7	C1	H9	109.5°	109.4°
H8	C1	H9	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C7	C8	C6	H5	109.5°	107.5°
C7	C8	C6	H6	109.5°	107.5°
C8	C7	C6	H3	109.7°	107.6°
C8	C7	C6	H4	109.6°	107.5°
C7	C8	C6	C5	107.9°	107.5°
C7	C8	C6	H2	108.8°	107.6°
C8	C7	H3	H4	144.4°	145.9°
C7	C8	H5	H6	144.5°	145.6°
C8	C6	C5	H2	143.1°	145.6°
C8	C6	C5	O1	55.9°	68.8°
C8	C6	C5	N1	125.0°	111.2°
C6	C8	H5	H6	144.6°	145.7°
C7	C6	C5	H2	153.1°	145.8°
C7	C6	C5	O1	7.9°	0.1°
C7	C6	C5	N1	171.1°	179.9°
C6	C7	H3	H4	144.4°	145.5°
C6	C5	O1	N1	179.0°	180.0°
C6	C5	N1	C4	172.2°	180.0°
C6	C5	N1	H1	7.8°	0.3°
C5	C6	C7	H3	152.2°	0.1°
C5	C6	C7	H4	11.5°	145.0°
C5	C6	C8	H5	1.6°	145.0°
C5	C6	C8	H6	142.5°	0.0°
O1	C5	N1	C4	6.9°	0.0°
O1	C5	N1	H1	173.1°	179.7°
O1	C5	C6	H2	161.0°	145.6°
C5	N1	C4	H1	180.0°	179.7°
C5	N1	C4	C3	0.0°	179.7°
C5	N1	C4	O2	179.5°	0.1°
N1	C5	C6	H2	18.1°	34.4°
N1	C4	C3	O2	179.5°	179.7°
N1	C4	C3	C2	179.8°	179.9°
N1	C4	O2	N2	180.0°	179.9°
N1	C4	C3	H10	0.2°	0.1°
C4	C3	C2	H10	180.0°	179.9°
C3	C4	O2	N2	0.4°	0.3°
C4	C3	C2	N2	0.1°	0.2°
C4	C3	C2	C1	180.0°	179.8°
C3	C4	N1	H1	180.0°	0.0°
O2	C4	C3	C2	0.3°	0.3°
C4	O2	N2	C2	0.4°	0.1°
O2	C4	N1	H1	0.6°	179.6°
O2	C4	C3	H10	179.7°	179.8°
C3	C2	N2	O2	0.2°	0.0°
C3	C2	N2	C1	179.9°	180.0°
C3	C2	C1	H7	179.9°	90.0°
C3	C2	C1	H8	59.9°	30.0°
C3	C2	C1	H9	60.1°	150.0°
O2	N2	C2	C1	179.7°	180.0°
N2	C2	C1	H7	0.0°	90.0°
N2	C2	C1	H8	120.0°	150.0°
N2	C2	C1	H9	120.0°	30.0°
N2	C2	C3	H10	179.9°	179.9°
C2	C1	H7	H8	120.0°	120.0°
C2	C1	H7	H9	120.0°	119.9°
C2	C1	H8	H9	120.0°	120.0°
C1	C2	C3	H10	0.0°	0.1°
H2	C6	C7	H3	1.0°	145.0°
H2	C6	C7	H4	141.7°	0.1°
H2	C6	C8	H5	141.7°	0.1°
H2	C6	C8	H6	0.8°	144.9°
H3	C7	C8	H5	140.8°	145.1°
H3	C7	C8	H6	0.0°	0.1°
H4	C7	C8	H5	0.1°	0.1°
H4	C7	C8	H6	140.8°	145.1°
H7	C1	H8	H9	120.0°	120.0°

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