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Summary Geometry Related PDB entries

A1AJ0

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C	C1	sing	1.51Å	1.51Å
C1	C2	doub	1.39Å	1.40Å	Aromatic
C2	N	sing	1.32Å	1.35Å	Aromatic
N	C3	doub	1.33Å	1.33Å	Aromatic
C3	N1	sing	1.37Å	1.35Å	Aromatic
N1	C4	sing	1.46Å	1.45Å
C4	C5	sing	1.51Å	1.51Å
C5	O	doub	1.21Å	1.22Å
O1	C5	sing	1.34Å	1.32Å
N2	N1	sing	1.40Å	1.37Å	Aromatic
C6	N2	doub	1.30Å	1.32Å	Aromatic
C7	C6	sing	1.46Å	1.42Å	Aromatic
C3	C7	sing	1.41Å	1.40Å	Aromatic
C8	C7	doub	1.40Å	1.39Å	Aromatic
C1	C8	sing	1.37Å	1.39Å	Aromatic
C4	H5	sing	1.09Å	1.10Å
C4	H4	sing	1.09Å	1.10Å
C6	H7	sing	1.08Å	1.08Å
C8	H8	sing	1.08Å	1.08Å
O1	H6	sing	0.97Å	0.95Å
C2	H3	sing	1.08Å	1.08Å
C	H	sing	1.09Å	1.10Å
C	H1	sing	1.09Å	1.10Å
C	H2	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C	C1	C2	121.7°	120.2°
C	C1	C8	121.3°	120.2°
C1	C	H	109.5°	109.4°
C1	C	H1	109.4°	109.5°
C1	C	H2	109.5°	109.5°
C1	C2	N	125.5°	121.6°
C2	C1	C8	117.0°	119.6°
C1	C2	H3	117.2°	119.2°
C2	N	C3	114.8°	121.5°
N	C2	H3	117.3°	119.2°
N	C3	N1	127.7°	133.6°
N	C3	C7	125.3°	119.9°
C3	N1	C4	127.8°	125.4°
C3	N1	N2	111.0°	109.2°
N1	C3	C7	107.0°	106.6°
N1	C4	C5	112.7°	109.5°
C4	N1	N2	121.0°	125.4°
N1	C4	H5	108.6°	109.5°
N1	C4	H4	108.7°	109.5°
C4	C5	O	121.8°	120.0°
C4	C5	O1	115.2°	120.0°
C5	C4	H5	108.6°	109.5°
C5	C4	H4	108.6°	109.4°
O	C5	O1	123.0°	120.0°
C5	O1	H6	109.5°	117.0°
N1	N2	C6	106.2°	110.1°
N2	C6	C7	111.3°	107.7°
N2	C6	H7	124.4°	126.1°
C6	C7	C3	104.5°	106.5°
C6	C7	C8	137.6°	134.3°
C7	C6	H7	124.4°	126.2°
C3	C7	C8	117.8°	119.3°
C7	C8	C1	119.6°	118.2°
C7	C8	H8	120.2°	120.9°
C1	C8	H8	120.2°	120.9°
H5	C4	H4	109.5°	109.5°
H	C	H1	109.5°	109.5°
H	C	H2	109.5°	109.4°
H1	C	H2	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C	C1	C2	C8	179.5°	180.0°
C	C1	C2	N	179.7°	180.0°
C	C1	C8	C7	179.3°	180.0°
C	C1	C8	H8	0.7°	0.2°
C	C1	C2	H3	0.3°	0.0°
C1	C	H	H1	120.0°	120.0°
C1	C	H	H2	120.0°	120.0°
C1	C	H1	H2	120.0°	120.0°
C1	C2	N	H3	180.0°	180.0°
C1	C2	N	C3	0.4°	0.0°
C2	C1	C8	C7	0.2°	0.0°
C2	C1	C8	H8	179.8°	179.8°
C2	C1	C	H	90.3°	90.0°
C2	C1	C	H1	149.7°	150.0°
C2	C1	C	H2	29.8°	30.0°
C2	N	C3	N1	178.3°	180.0°
C2	N	C3	C7	0.2°	0.0°
N	C2	C1	C8	0.2°	0.0°
N	C3	N1	C7	178.7°	179.9°
N	C3	N1	C4	7.4°	0.1°
N	C3	N1	N2	177.6°	179.7°
N	C3	C7	C6	178.0°	179.9°
N	C3	C7	C8	0.2°	0.0°
C3	N	C2	H3	179.6°	180.0°
C3	N1	C4	N2	174.6°	179.7°
C3	N1	C4	C5	57.2°	90.3°
C3	N1	N2	C6	1.0°	0.3°
N1	C3	C7	C6	0.8°	0.1°
N1	C3	C7	C8	179.0°	180.0°
C3	N1	C4	H5	63.3°	29.8°
C3	N1	C4	H4	177.6°	149.8°
N1	C4	C5	H5	120.5°	120.0°
N1	C4	C5	H4	120.5°	120.0°
N1	C4	C5	O	139.7°	0.0°
N1	C4	C5	O1	40.6°	180.0°
C4	N1	N2	C6	174.4°	180.0°
C4	N1	C3	C7	173.9°	180.0°
N1	C4	H5	H4	118.5°	120.0°
C4	C5	O	O1	179.7°	179.9°
C5	C4	N1	N2	117.4°	90.0°
C5	C4	H5	H4	118.5°	120.0°
C4	C5	O1	H6	179.7°	180.0°
O	C5	C4	H5	19.2°	120.0°
O	C5	C4	H4	99.8°	120.0°
O	C5	O1	H6	0.0°	0.1°
O1	C5	C4	H5	161.1°	60.0°
O1	C5	C4	H4	79.9°	60.0°
N1	N2	C6	C7	0.5°	0.2°
N2	N1	C3	C7	1.1°	0.2°
N2	N1	C4	H5	122.1°	149.9°
N2	N1	C4	H4	3.1°	30.0°
N1	N2	C6	H7	179.5°	179.9°
N2	C6	C7	H7	180.0°	179.7°
N2	C6	C7	C3	0.2°	0.1°
N2	C6	C7	C8	177.8°	179.8°
C6	C7	C3	C8	178.2°	179.8°
C6	C7	C8	C1	177.0°	179.8°
C6	C7	C8	H8	2.9°	0.0°
C3	C7	C8	C1	0.4°	0.0°
C3	C7	C6	H7	179.8°	179.8°
C3	C7	C8	H8	179.6°	179.8°
C7	C8	C1	H8	180.0°	179.8°
C8	C7	C6	H7	2.2°	0.0°
C8	C1	C2	H3	179.8°	180.0°
C8	C1	C	H	90.2°	90.0°
C8	C1	C	H1	29.8°	30.0°
C8	C1	C	H2	149.7°	150.0°
H	C	H1	H2	120.0°	120.0°

248335

PDB entries from 2026-01-28

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