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Summary Geometry Related PDB entries

A1IGN

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	N1	sing	1.46Å	1.46Å
N1	C2	sing	1.46Å	1.47Å
C2	C3	sing	1.51Å	1.51Å
C3	C4	doub	1.38Å	1.39Å	Aromatic
C4	C5	sing	1.38Å	1.39Å	Aromatic
C5	C6	doub	1.38Å	1.38Å	Aromatic
C6	C7	sing	1.38Å	1.37Å	Aromatic
C7	C8	doub	1.38Å	1.39Å	Aromatic
N1	C9	sing	1.35Å	1.34Å
C9	N2	sing	1.35Å	1.35Å
C9	O1	doub	1.22Å	1.26Å
C3	C8	sing	1.38Å	1.39Å	Aromatic
C4	H6	sing	1.08Å	1.08Å
C5	H7	sing	1.08Å	1.08Å
C6	H8	sing	1.08Å	1.08Å
C7	H9	sing	1.08Å	1.08Å
C8	H10	sing	1.08Å	1.08Å
C1	H1	sing	1.09Å	1.10Å
C1	H2	sing	1.09Å	1.10Å
C1	H3	sing	1.09Å	1.10Å
C2	H4	sing	1.09Å	1.10Å
C2	H5	sing	1.09Å	1.10Å
N2	H11	sing	0.97Å	1.00Å
N2	H12	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C1	N1	C2	116.2°	120.0°
C1	N1	C9	122.6°	120.0°
N1	C1	H1	109.5°	109.5°
N1	C1	H2	109.5°	109.5°
N1	C1	H3	109.5°	109.5°
N1	C2	C3	112.5°	109.5°
C2	N1	C9	121.2°	120.0°
N1	C2	H4	108.7°	109.4°
N1	C2	H5	108.7°	109.5°
C2	C3	C4	120.8°	120.0°
C2	C3	C8	120.2°	120.0°
C3	C2	H4	108.7°	109.4°
C3	C2	H5	108.7°	109.5°
C3	C4	C5	120.2°	120.0°
C4	C3	C8	118.9°	120.0°
C3	C4	H6	119.9°	120.0°
C4	C5	C6	120.3°	120.0°
C5	C4	H6	119.9°	120.0°
C4	C5	H7	119.8°	120.0°
C5	C6	C7	120.0°	120.0°
C6	C5	H7	119.9°	120.0°
C5	C6	H8	120.0°	120.0°
C6	C7	C8	120.1°	120.0°
C7	C6	H8	120.1°	120.0°
C6	C7	H9	119.9°	120.0°
C7	C8	C3	120.5°	120.0°
C8	C7	H9	119.9°	120.0°
C7	C8	H10	119.8°	120.0°
N1	C9	N2	118.8°	120.0°
N1	C9	O1	120.7°	120.0°
N2	C9	O1	120.5°	120.0°
C9	N2	H11	120.0°	120.0°
C9	N2	H12	120.0°	120.0°
C3	C8	H10	119.8°	120.0°
H1	C1	H2	109.5°	109.5°
H1	C1	H3	109.5°	109.5°
H2	C1	H3	109.5°	109.4°
H4	C2	H5	109.5°	109.5°
H11	N2	H12	120.0°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C1	N1	C2	C9	178.5°	179.8°
C1	N1	C2	C3	72.4°	90.2°
C1	N1	C9	N2	5.8°	0.2°
C1	N1	C9	O1	174.3°	179.7°
N1	C1	H1	H2	120.0°	120.0°
N1	C1	H1	H3	120.0°	120.0°
N1	C1	H2	H3	120.0°	120.0°
C1	N1	C2	H4	167.1°	29.7°
C1	N1	C2	H5	48.0°	149.7°
N1	C2	C3	H4	120.4°	120.0°
N1	C2	C3	H5	120.4°	120.1°
N1	C2	C3	C4	116.2°	89.9°
C2	N1	C9	N2	175.8°	180.0°
C2	N1	C9	O1	4.1°	0.0°
N1	C2	C3	C8	63.7°	89.4°
C2	N1	C1	H1	180.0°	90.0°
C2	N1	C1	H2	60.0°	150.0°
C2	N1	C1	H3	60.0°	30.0°
N1	C2	H4	H5	118.6°	120.0°
C2	C3	C4	C8	179.8°	179.4°
C2	C3	C4	C5	178.5°	180.0°
C2	C3	C8	C7	179.9°	180.0°
C3	C2	N1	C9	106.0°	90.0°
C2	C3	C4	H6	1.5°	0.3°
C2	C3	C8	H10	0.1°	0.4°
C3	C2	H4	H5	118.6°	120.0°
C3	C4	C5	H6	180.0°	179.8°
C3	C4	C5	C6	2.3°	0.2°
C4	C3	C8	C7	0.1°	0.6°
C3	C4	C5	H7	177.7°	179.7°
C4	C3	C8	H10	179.9°	179.7°
C4	C3	C2	H4	123.4°	30.0°
C4	C3	C2	H5	4.3°	150.0°
C4	C5	C6	H7	180.0°	180.0°
C4	C5	C6	C7	1.3°	0.0°
C5	C4	C3	C8	1.7°	0.6°
C4	C5	C6	H8	178.7°	180.0°
C5	C6	C7	H8	180.0°	180.0°
C5	C6	C7	C8	0.4°	0.1°
C6	C5	C4	H6	177.7°	180.0°
C5	C6	C7	H9	179.7°	179.9°
C6	C7	C8	H9	180.0°	179.8°
C6	C7	C8	C3	1.0°	0.4°
C7	C6	C5	H7	178.7°	180.0°
C6	C7	C8	H10	179.1°	180.0°
C7	C8	C3	H10	180.0°	179.6°
C8	C7	C6	H8	179.7°	179.9°
N1	C9	N2	O1	179.9°	180.0°
C9	N1	C1	H1	1.6°	90.2°
C9	N1	C1	H2	118.4°	29.8°
C9	N1	C1	H3	121.6°	149.7°
C9	N1	C2	H4	14.4°	150.0°
C9	N1	C2	H5	133.5°	30.1°
N1	C9	N2	H11	179.9°	0.1°
N1	C9	N2	H12	0.1°	180.0°
C9	N2	H11	H12	180.0°	179.9°
O1	C9	N2	H11	0.0°	180.0°
O1	C9	N2	H12	180.0°	0.0°
C8	C3	C4	H6	178.3°	179.7°
C3	C8	C7	H9	179.0°	179.8°
C8	C3	C2	H4	56.8°	150.6°
C8	C3	C2	H5	175.9°	30.6°
H6	C4	C5	H7	2.3°	0.0°
H7	C5	C6	H8	1.3°	0.0°
H8	C6	C7	H9	0.3°	0.1°
H9	C7	C8	H10	0.9°	0.2°
H1	C1	H2	H3	120.0°	120.0°

250359

PDB entries from 2026-03-11

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