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Summary Geometry Related PDB entries

45X

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N	C	sing	1.47Å	1.48Å
C1	C	sing	1.53Å	1.51Å
C1	C2	sing	1.51Å	1.51Å
C6	C2	doub	1.38Å	1.38Å	Aromatic
C6	N1	sing	1.32Å	1.34Å	Aromatic
C2	C3	sing	1.39Å	1.38Å	Aromatic
N1	C5	doub	1.32Å	1.33Å	Aromatic
C3	C4	doub	1.39Å	1.38Å	Aromatic
C5	C4	sing	1.38Å	1.37Å	Aromatic
C1	H1	sing	1.09Å	1.10Å
C1	H2	sing	1.09Å	1.10Å
C6	H3	sing	1.08Å	1.08Å
C5	H4	sing	1.08Å	1.08Å
C4	H5	sing	1.08Å	1.08Å
C3	H6	sing	1.08Å	1.08Å
N	H7	sing	1.01Å	1.00Å
N	H8	sing	1.01Å	1.00Å
C	H10	sing	1.09Å	1.10Å
C	H11	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N	C	C1	111.0°	109.5°
C	N	H7	109.5°	111.0°
C	N	H8	109.5°	111.0°
N	C	H10	109.1°	109.5°
N	C	H11	109.1°	109.5°
C	C1	C2	112.1°	109.5°
C	C1	H1	108.8°	109.5°
C	C1	H2	108.8°	109.5°
C1	C	H10	109.1°	109.5°
C1	C	H11	109.1°	109.4°
C1	C2	C6	121.9°	120.4°
C1	C2	C3	121.1°	120.4°
C2	C1	H1	108.8°	109.4°
C2	C1	H2	108.8°	109.5°
C2	C6	N1	124.2°	120.8°
C6	C2	C3	117.0°	119.1°
C2	C6	H3	117.9°	119.6°
C6	N1	C5	117.2°	121.7°
N1	C6	H3	117.9°	119.7°
C2	C3	C4	119.9°	118.4°
C2	C3	H6	120.1°	120.7°
N1	C5	C4	123.2°	120.8°
N1	C5	H4	118.4°	119.6°
C3	C4	C5	118.4°	119.1°
C3	C4	H5	120.8°	120.4°
C4	C3	H6	120.0°	120.8°
C4	C5	H4	118.4°	119.6°
C5	C4	H5	120.8°	120.5°
H1	C1	H2	109.5°	109.5°
H7	N	H8	109.5°	111.0°
H10	C	H11	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N	C	C1	H10	120.2°	120.1°
N	C	C1	H11	120.2°	120.0°
N	C	C1	C2	168.7°	180.0°
N	C	C1	H1	70.9°	60.0°
N	C	C1	H2	48.3°	60.0°
C	N	H7	H8	120.0°	123.9°
N	C	H10	H11	119.3°	120.0°
C	C1	C2	H1	120.4°	120.0°
C	C1	C2	H2	120.4°	120.0°
C	C1	C2	C6	127.9°	90.0°
C	C1	C2	C3	52.4°	90.0°
C	C1	H1	H2	118.8°	120.0°
C1	C	N	H7	180.0°	180.0°
C1	C	N	H8	60.0°	56.0°
C1	C	H10	H11	119.3°	119.9°
C1	C2	C6	C3	179.7°	179.9°
C1	C2	C6	N1	179.8°	180.0°
C1	C2	C3	C4	179.6°	180.0°
C2	C1	H1	H2	118.8°	120.0°
C1	C2	C6	H3	0.3°	0.2°
C1	C2	C3	H6	0.4°	0.0°
C2	C1	C	H10	48.5°	60.0°
C2	C1	C	H11	71.1°	60.0°
C2	C6	N1	H3	180.0°	179.8°
C2	C6	N1	C5	0.2°	0.1°
C6	C2	C3	C4	0.1°	0.1°
C6	C2	C1	H1	7.5°	150.0°
C6	C2	C1	H2	111.7°	30.1°
C6	C2	C3	H6	179.9°	180.0°
N1	C6	C2	C3	0.1°	0.1°
C6	N1	C5	C4	0.1°	0.1°
C6	N1	C5	H4	179.8°	180.0°
C2	C3	C4	H6	180.0°	180.0°
C2	C3	C4	C5	0.1°	0.1°
C3	C2	C1	H1	172.8°	30.0°
C3	C2	C1	H2	68.0°	150.0°
C3	C2	C6	H3	180.0°	179.7°
C2	C3	C4	H5	179.9°	180.0°
N1	C5	C4	C3	0.0°	0.1°
N1	C5	C4	H4	180.0°	179.9°
C5	N1	C6	H3	179.9°	179.7°
N1	C5	C4	H5	180.0°	180.0°
C3	C4	C5	H5	180.0°	179.9°
C3	C4	C5	H4	180.0°	180.0°
C5	C4	C3	H6	179.9°	180.0°
H1	C1	C	H10	168.9°	179.9°
H1	C1	C	H11	49.3°	60.0°
H2	C1	C	H10	71.9°	60.1°
H2	C1	C	H11	168.5°	180.0°
H4	C5	C4	H5	0.0°	0.1°
H5	C4	C3	H6	0.1°	0.1°
H7	N	C	H10	59.8°	60.0°
H7	N	C	H11	59.8°	60.0°
H8	N	C	H10	60.2°	176.0°
H8	N	C	H11	179.8°	63.9°

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