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Summary Geometry Related PDB entries

H3J

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N1	C8	doub	1.32Å	1.34Å	Aromatic
N1	C7	sing	1.32Å	1.34Å	Aromatic
C8	C9	sing	1.38Å	1.37Å	Aromatic
C7	C6	doub	1.39Å	1.38Å	Aromatic
C1	C2	sing	1.51Å	1.48Å
C9	C10	doub	1.38Å	1.38Å	Aromatic
C3	C2	sing	1.47Å	1.48Å
C3	C4	doub	1.35Å	1.53Å
C2	C5	doub	1.34Å	1.38Å
C6	C10	sing	1.39Å	1.38Å	Aromatic
C6	O1	sing	1.36Å	1.39Å
C5	O1	sing	1.35Å	1.40Å
C5	C11	sing	1.50Å	1.45Å
C4	C11	sing	1.48Å	1.50Å
C11	O2	doub	1.21Å	1.23Å
C4	H1	sing	1.08Å	1.08Å
C7	H2	sing	1.08Å	1.08Å
C8	H3	sing	1.08Å	1.08Å
C10	H4	sing	1.08Å	1.08Å
C1	H5	sing	1.09Å	1.10Å
C1	H6	sing	1.09Å	1.10Å
C1	H7	sing	1.09Å	1.10Å
C3	H8	sing	1.08Å	1.08Å
C9	H9	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C8	N1	C7	118.2°	121.9°
N1	C8	C9	123.4°	120.9°
N1	C8	H3	118.3°	119.6°
N1	C7	C6	121.9°	120.6°
N1	C7	H2	119.1°	119.7°
C8	C9	C10	118.0°	119.3°
C9	C8	H3	118.3°	119.5°
C8	C9	H9	121.0°	120.4°
C7	C6	C10	119.4°	119.0°
C7	C6	O1	121.3°	120.5°
C6	C7	H2	119.0°	119.7°
C1	C2	C3	121.6°	125.2°
C1	C2	C5	126.8°	125.2°
C2	C1	H5	109.5°	109.5°
C2	C1	H6	109.4°	109.5°
C2	C1	H7	109.4°	109.5°
C9	C10	C6	119.0°	118.4°
C9	C10	H4	120.5°	120.8°
C10	C9	H9	121.0°	120.4°
C2	C3	C4	104.1°	109.9°
C3	C2	C5	111.5°	109.6°
C2	C3	H8	127.9°	125.0°
C3	C4	C11	106.0°	107.4°
C3	C4	H1	127.0°	126.3°
C4	C3	H8	128.0°	125.1°
C2	C5	O1	123.1°	126.5°
C2	C5	C11	109.9°	107.1°
C10	C6	O1	119.3°	120.5°
C6	C10	H4	120.5°	120.8°
C6	O1	C5	121.9°	118.0°
O1	C5	C11	126.7°	126.4°
C5	C11	C4	107.6°	106.0°
C5	C11	O2	125.7°	127.0°
C4	C11	O2	126.7°	127.0°
C11	C4	H1	127.0°	126.3°
H5	C1	H6	109.5°	109.5°
H5	C1	H7	109.5°	109.5°
H6	C1	H7	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N1	C8	C9	H3	180.0°	180.0°
C8	N1	C7	C6	1.0°	0.0°
N1	C8	C9	C10	0.0°	0.0°
C8	N1	C7	H2	179.0°	180.0°
N1	C8	C9	H9	180.0°	180.0°
C7	N1	C8	C9	0.7°	0.0°
N1	C7	C6	H2	180.0°	180.0°
N1	C7	C6	C10	0.7°	0.0°
N1	C7	C6	O1	179.0°	180.0°
C7	N1	C8	H3	179.3°	180.0°
C8	C9	C10	H9	180.0°	180.0°
C8	C9	C10	C6	0.4°	0.0°
C8	C9	C10	H4	179.6°	180.0°
C7	C6	C10	C9	0.0°	0.0°
C7	C6	C10	O1	179.7°	180.0°
C7	C6	O1	C5	13.0°	5.4°
C7	C6	C10	H4	180.0°	180.0°
C1	C2	C3	C5	176.0°	180.0°
C1	C2	C3	C4	165.7°	179.7°
C1	C2	C5	O1	6.6°	0.0°
C1	C2	C5	C11	167.1°	179.6°
C2	C1	H5	H6	120.0°	120.0°
C2	C1	H5	H7	120.0°	120.0°
C2	C1	H6	H7	119.9°	120.0°
C1	C2	C3	H8	14.3°	0.2°
C9	C10	C6	H4	180.0°	180.0°
C9	C10	C6	O1	179.7°	180.0°
C10	C9	C8	H3	180.0°	180.0°
C2	C3	C4	H8	180.0°	180.0°
C3	C2	C5	O1	177.7°	180.0°
C3	C2	C5	C11	8.6°	0.4°
C2	C3	C4	C11	7.9°	0.0°
C2	C3	C4	H1	172.1°	179.8°
C3	C2	C1	H5	180.0°	85.0°
C3	C2	C1	H6	60.0°	35.0°
C3	C2	C1	H7	60.0°	155.0°
C4	C3	C2	C5	10.3°	0.3°
C3	C4	C11	C5	3.3°	0.2°
C3	C4	C11	H1	180.0°	179.8°
C3	C4	C11	O2	178.9°	179.8°
C2	C5	O1	C6	83.0°	113.8°
C2	C5	O1	C11	172.6°	179.5°
C2	C5	C11	C4	3.1°	0.4°
C2	C5	C11	O2	174.7°	179.6°
C5	C2	C1	H5	4.7°	95.0°
C5	C2	C1	H6	124.7°	145.0°
C5	C2	C1	H7	115.3°	25.0°
C5	C2	C3	H8	169.7°	179.7°
C10	C6	O1	C5	166.7°	174.6°
C10	C6	C7	H2	179.3°	180.0°
C6	C10	C9	H9	179.7°	180.0°
C6	O1	C5	C11	104.4°	66.7°
O1	C6	C7	H2	1.0°	0.0°
O1	C6	C10	H4	0.3°	0.0°
O1	C5	C11	C4	176.5°	180.0°
O1	C5	C11	O2	1.3°	0.0°
C5	C11	C4	O2	177.8°	180.0°
C5	C11	C4	H1	176.7°	180.0°
C11	C4	C3	H8	172.2°	180.0°
O2	C11	C4	H1	1.1°	0.1°
H1	C4	C3	H8	7.9°	0.2°
H3	C8	C9	H9	0.0°	0.0°
H4	C10	C9	H9	0.3°	0.0°
H5	C1	H6	H7	120.1°	120.0°

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