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Summary Geometry Related PDB entries

2AQ

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N1	C2	sing	1.42Å	1.27Å
N1	HN11	sing	1.00Å	1.00Å
N1	HN12	sing	1.00Å	1.00Å
C2	N11	doub	1.35Å	1.34Å	Aromatic
C2	C3	sing	1.38Å	1.39Å	Aromatic
C3	C4	doub	1.39Å	1.37Å	Aromatic
C3	H3	sing	1.08Å	1.08Å
C4	C5	sing	1.40Å	1.39Å	Aromatic
C4	H4	sing	1.09Å	1.08Å
C5	C10	sing	1.41Å	1.41Å	Aromatic
C5	C6	doub	1.41Å	1.39Å	Aromatic
C6	C7	sing	1.39Å	1.38Å	Aromatic
C6	H6	sing	1.09Å	1.08Å
C7	C8	doub	1.39Å	1.38Å	Aromatic
C7	H7	sing	1.09Å	1.08Å
C8	C9	sing	1.40Å	1.38Å	Aromatic
C8	H8	sing	1.09Å	1.08Å
C9	C10	doub	1.39Å	1.38Å	Aromatic
C9	H9	sing	1.09Å	1.08Å
C10	N11	sing	1.35Å	1.34Å	Aromatic

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	N1	HN11	109.5°	118.9°
C2	N1	HN12	109.4°	118.9°
N1	C2	N11	116.8°	118.6°
N1	C2	C3	120.6°	117.3°
HN11	N1	HN12	109.5°	122.0°
N11	C2	C3	122.6°	124.2°
C2	N11	C10	118.2°	118.2°
C2	C3	C4	119.4°	117.5°
C2	C3	H3	120.3°	122.1°
C4	C3	H3	120.3°	120.4°
C3	C4	C5	119.2°	120.2°
C3	C4	H4	120.4°	119.1°
C5	C4	H4	120.4°	120.7°
C4	C5	C10	118.1°	118.1°
C4	C5	C6	122.4°	121.6°
C10	C5	C6	119.4°	120.3°
C5	C10	C9	119.3°	118.1°
C5	C10	N11	122.4°	121.8°
C5	C6	C7	120.3°	120.4°
C5	C6	H6	119.8°	120.6°
C7	C6	H6	119.9°	119.0°
C6	C7	C8	120.3°	119.6°
C6	C7	H7	119.9°	120.2°
C8	C7	H7	119.9°	120.2°
C7	C8	C9	120.3°	120.0°
C7	C8	H8	119.9°	120.1°
C9	C8	H8	119.9°	119.9°
C8	C9	C10	120.4°	121.6°
C8	C9	H9	119.8°	118.6°
C10	C9	H9	119.8°	119.8°
C9	C10	N11	118.2°	120.1°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	N1	HN11	HN12	120.0°	173.6°
N1	C2	N11	C3	178.7°	180.0°
N1	C2	C3	C4	179.9°	180.0°
N1	C2	C3	H3	0.1°	0.0°
N1	C2	N11	C10	179.6°	180.0°
HN11	N1	C2	N11	95.1°	52.8°
HN11	N1	C2	C3	83.7°	127.3°
HN12	N1	C2	N11	24.9°	121.0°
HN12	N1	C2	C3	156.3°	59.0°
N11	C2	C3	C4	1.4°	0.0°
N11	C2	C3	H3	178.6°	180.0°
C2	N11	C10	C5	0.0°	0.0°
C2	N11	C10	C9	180.0°	180.0°
C2	C3	C4	H3	180.0°	180.0°
C2	C3	C4	C5	1.1°	0.0°
C2	C3	C4	H4	178.9°	180.0°
C3	C2	N11	C10	0.9°	0.0°
C3	C4	C5	H4	180.0°	179.9°
C3	C4	C5	C10	0.3°	0.0°
C3	C4	C5	C6	179.8°	180.0°
H3	C3	C4	C5	178.9°	180.0°
H3	C3	C4	H4	1.1°	0.1°
C4	C5	C10	C6	179.9°	180.0°
C4	C5	C6	C7	179.7°	180.0°
C4	C5	C6	H6	0.3°	0.1°
C4	C5	C10	C9	179.8°	180.0°
C4	C5	C10	N11	0.2°	0.0°
H4	C4	C5	C10	179.7°	179.9°
H4	C4	C5	C6	0.2°	0.0°
C10	C5	C6	C7	0.4°	0.0°
C10	C5	C6	H6	179.5°	180.0°
C5	C10	C9	C8	0.0°	0.0°
C5	C10	C9	N11	180.0°	180.0°
C5	C10	C9	H9	180.0°	180.0°
C5	C6	C7	H6	180.0°	179.9°
C5	C6	C7	C8	0.1°	0.0°
C5	C6	C7	H7	179.8°	180.0°
C6	C5	C10	C9	0.4°	0.0°
C6	C5	C10	N11	179.6°	180.0°
C6	C7	C8	H7	180.0°	180.0°
C6	C7	C8	C9	0.3°	0.0°
C6	C7	C8	H8	179.7°	180.0°
H6	C6	C7	C8	179.8°	180.0°
H6	C6	C7	H7	0.2°	0.0°
C7	C8	C9	H8	180.0°	180.0°
C7	C8	C9	C10	0.3°	0.0°
C7	C8	C9	H9	179.7°	180.0°
H7	C7	C8	C9	179.8°	180.0°
H7	C7	C8	H8	0.3°	0.0°
C8	C9	C10	H9	180.0°	180.0°
C8	C9	C10	N11	180.0°	180.0°
H8	C8	C9	C10	179.6°	180.0°
H8	C8	C9	H9	0.3°	0.0°
H9	C9	C10	N11	0.0°	0.0°

246704

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