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Summary Geometry Related PDB entries

A1AX8

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O1	C1	doub	1.22Å	1.24Å
C1	N1	sing	1.35Å	1.33Å
C1	C2	sing	1.48Å	1.49Å
C2	C3	doub	1.40Å	1.39Å	Aromatic
C2	C7	sing	1.39Å	1.39Å	Aromatic
C3	C4	sing	1.38Å	1.38Å	Aromatic
C4	C5	doub	1.38Å	1.39Å	Aromatic
C5	C6	sing	1.39Å	1.41Å	Aromatic
C5	C8	sing	1.51Å	1.49Å
C6	N2	sing	1.40Å	1.38Å
C6	C7	doub	1.39Å	1.39Å	Aromatic
C3	H3	sing	1.08Å	1.08Å
C4	H4	sing	1.08Å	1.08Å
C7	H7	sing	1.08Å	1.08Å
C8	H82	sing	1.09Å	1.10Å
C8	H83	sing	1.09Å	1.10Å
C8	H81	sing	1.09Å	1.10Å
N1	H12	sing	0.97Å	1.00Å
N1	H11	sing	0.97Å	1.00Å
N2	H21	sing	0.97Å	1.00Å
N2	H22	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1	C1	N1	122.6°	120.0°
O1	C1	C2	119.2°	120.0°
N1	C1	C2	118.2°	120.0°
C1	N1	H12	120.0°	120.0°
C1	N1	H11	120.0°	120.0°
C1	C2	C3	120.2°	120.1°
C1	C2	C7	120.2°	120.1°
C3	C2	C7	119.6°	119.8°
C2	C3	C4	120.3°	120.0°
C2	C3	H3	119.8°	120.0°
C2	C7	C6	120.1°	119.8°
C2	C7	H7	120.0°	120.1°
C3	C4	C5	121.2°	120.3°
C4	C3	H3	119.9°	120.0°
C3	C4	H4	119.4°	119.9°
C4	C5	C6	118.0°	120.2°
C4	C5	C8	120.9°	119.9°
C5	C4	H4	119.4°	119.9°
C6	C5	C8	121.1°	119.9°
C5	C6	N2	120.2°	120.0°
C5	C6	C7	120.7°	119.9°
C5	C8	H82	109.5°	109.5°
C5	C8	H83	109.5°	109.4°
C5	C8	H81	109.5°	109.5°
N2	C6	C7	119.0°	120.0°
C6	N2	H21	109.5°	120.0°
C6	N2	H22	109.5°	120.0°
C6	C7	H7	119.9°	120.1°
H82	C8	H83	109.5°	109.4°
H82	C8	H81	109.5°	109.5°
H83	C8	H81	109.5°	109.5°
H12	N1	H11	120.0°	120.0°
H21	N2	H22	109.5°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C1	N1	C2	179.7°	179.7°
O1	C1	C2	C3	62.5°	179.7°
O1	C1	C2	C7	115.8°	0.5°
O1	C1	N1	H12	0.0°	179.7°
O1	C1	N1	H11	180.0°	0.3°
N1	C1	C2	C3	117.2°	0.0°
N1	C1	C2	C7	64.4°	179.8°
C1	N1	H12	H11	180.0°	180.0°
C1	C2	C3	C7	178.4°	179.8°
C1	C2	C3	C4	179.5°	180.0°
C1	C2	C7	C6	179.5°	179.7°
C1	C2	C3	H3	0.5°	0.0°
C1	C2	C7	H7	0.5°	0.1°
C2	C1	N1	H12	179.7°	0.0°
C2	C1	N1	H11	0.3°	180.0°
C2	C3	C4	H3	180.0°	180.0°
C2	C3	C4	C5	0.7°	0.1°
C3	C2	C7	C6	1.1°	0.5°
C2	C3	C4	H4	179.3°	180.0°
C3	C2	C7	H7	178.9°	179.7°
C7	C2	C3	C4	1.1°	0.2°
C2	C7	C6	C5	0.7°	0.5°
C2	C7	C6	N2	180.0°	179.7°
C2	C7	C6	H7	180.0°	179.8°
C7	C2	C3	H3	178.9°	179.8°
C3	C4	C5	H4	180.0°	179.9°
C3	C4	C5	C6	0.3°	0.1°
C3	C4	C5	C8	180.0°	180.0°
C4	C5	C6	C8	179.7°	179.9°
C4	C5	C6	N2	179.6°	180.0°
C4	C5	C6	C7	0.3°	0.2°
C5	C4	C3	H3	179.3°	180.0°
C4	C5	C8	H82	89.9°	90.0°
C4	C5	C8	H83	150.1°	150.1°
C4	C5	C8	H81	30.1°	30.1°
C5	C6	N2	C7	179.3°	179.8°
C6	C5	C4	H4	179.7°	180.0°
C5	C6	C7	H7	179.3°	179.7°
C6	C5	C8	H82	89.8°	89.9°
C6	C5	C8	H83	30.2°	30.0°
C6	C5	C8	H81	150.2°	150.0°
C5	C6	N2	H21	180.0°	0.1°
C5	C6	N2	H22	60.0°	180.0°
C8	C5	C6	N2	0.7°	0.1°
C8	C5	C6	C7	180.0°	179.7°
C8	C5	C4	H4	0.0°	0.1°
C5	C8	H82	H83	120.0°	120.0°
C5	C8	H82	H81	120.0°	120.1°
C5	C8	H83	H81	120.0°	120.0°
N2	C6	C7	H7	0.0°	0.1°
C6	N2	H21	H22	120.0°	180.0°
C7	C6	N2	H21	0.7°	179.7°
C7	C6	N2	H22	119.3°	0.2°
H3	C3	C4	H4	0.7°	0.1°
H82	C8	H83	H81	120.0°	120.0°

247536

PDB entries from 2026-01-14

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