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Summary Geometry Related PDB entries

A1AXE

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	N1	sing	1.46Å	1.44Å
N1	C2	sing	1.37Å	1.37Å	Aromatic
C2	C3	doub	1.34Å	1.35Å	Aromatic
C3	C4	sing	1.46Å	1.43Å	Aromatic
C4	C5	doub	1.40Å	1.40Å	Aromatic
C5	C6	sing	1.36Å	1.37Å	Aromatic
C6	C7	doub	1.40Å	1.41Å	Aromatic
C7	C8	sing	1.39Å	1.39Å	Aromatic
C8	C9	doub	1.39Å	1.39Å	Aromatic
C7	C10	sing	1.47Å	1.52Å
C10	O1	sing	1.35Å	1.26Å
C10	O2	doub	1.21Å	1.27Å
N1	C9	sing	1.38Å	1.38Å	Aromatic
C4	C9	sing	1.41Å	1.41Å	Aromatic
C1	H1	sing	1.09Å	1.10Å
C1	H2	sing	1.09Å	1.10Å
C1	H3	sing	1.09Å	1.10Å
C2	H4	sing	1.08Å	1.08Å
C5	H6	sing	1.08Å	1.08Å
C6	H7	sing	1.08Å	1.08Å
C3	H5	sing	1.08Å	1.08Å
C8	H8	sing	1.08Å	1.08Å
O1	H9	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C1	N1	C2	125.2°	125.1°
C1	N1	C9	126.3°	125.1°
N1	C1	H1	109.5°	109.5°
N1	C1	H2	109.5°	109.5°
N1	C1	H3	109.4°	109.5°
N1	C2	C3	110.1°	110.0°
C2	N1	C9	108.5°	109.9°
N1	C2	H4	125.0°	125.0°
C2	C3	C4	107.3°	107.1°
C3	C2	H4	125.0°	125.0°
C2	C3	H5	126.4°	126.5°
C3	C4	C5	133.9°	133.9°
C3	C4	C9	106.7°	106.0°
C4	C3	H5	126.3°	126.4°
C4	C5	C6	118.0°	120.0°
C5	C4	C9	119.4°	120.1°
C4	C5	H6	121.0°	120.0°
C5	C6	C7	121.9°	120.4°
C6	C5	H6	121.0°	120.0°
C5	C6	H7	119.0°	119.8°
C6	C7	C8	121.2°	120.3°
C6	C7	C10	116.6°	119.8°
C7	C6	H7	119.1°	119.8°
C7	C8	C9	116.4°	119.7°
C8	C7	C10	122.2°	119.8°
C7	C8	H8	121.8°	120.2°
C8	C9	N1	129.6°	133.4°
C8	C9	C4	123.0°	119.5°
C9	C8	H8	121.8°	120.1°
C7	C10	O1	115.6°	120.0°
C7	C10	O2	119.4°	120.0°
O1	C10	O2	124.9°	120.0°
C10	O1	H9	109.5°	117.0°
N1	C9	C4	107.4°	107.1°
H1	C1	H2	109.4°	109.5°
H1	C1	H3	109.5°	109.5°
H2	C1	H3	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C1	N1	C2	C9	179.9°	179.9°
C1	N1	C2	C3	178.9°	179.9°
C1	N1	C9	C8	0.9°	0.2°
C1	N1	C9	C4	179.2°	179.8°
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	1.1°	0.2°
N1	C2	C3	H4	180.0°	179.8°
N1	C2	C3	C4	0.9°	0.2°
C2	N1	C9	C8	179.0°	179.7°
C2	N1	C9	C4	0.7°	0.3°
C2	N1	C1	H1	180.0°	90.1°
C2	N1	C1	H2	60.0°	149.9°
C2	N1	C1	H3	60.0°	29.9°
N1	C2	C3	H5	179.1°	179.8°
C2	C3	C4	H5	180.0°	180.0°
C2	C3	C4	C5	179.4°	179.9°
C3	C2	N1	C9	1.0°	0.0°
C2	C3	C4	C9	0.5°	0.4°
C3	C4	C5	C9	179.9°	179.5°
C3	C4	C5	C6	179.3°	179.5°
C3	C4	C9	C8	178.6°	179.6°
C3	C4	C9	N1	0.2°	0.4°
C4	C3	C2	H4	179.1°	180.0°
C3	C4	C5	H6	0.7°	0.6°
C4	C5	C6	H6	180.0°	179.9°
C4	C5	C6	C7	0.3°	0.0°
C5	C4	C9	C8	1.5°	0.0°
C5	C4	C9	N1	179.9°	180.0°
C4	C5	C6	H7	179.8°	180.0°
C5	C4	C3	H5	0.6°	0.1°
C5	C6	C7	H7	180.0°	180.0°
C5	C6	C7	C8	0.8°	0.0°
C5	C6	C7	C10	178.7°	180.0°
C6	C5	C4	C9	0.8°	0.0°
C6	C7	C8	C10	179.5°	180.0°
C6	C7	C8	C9	0.3°	0.0°
C6	C7	C10	O1	0.6°	0.0°
C6	C7	C10	O2	178.0°	180.0°
C7	C6	C5	H6	179.7°	180.0°
C6	C7	C8	H8	179.8°	179.9°
C7	C8	C9	H8	180.0°	179.9°
C8	C7	C10	O1	178.9°	180.0°
C8	C7	C10	O2	1.6°	0.0°
C7	C8	C9	N1	179.0°	180.0°
C7	C8	C9	C4	0.9°	0.0°
C8	C7	C6	H7	179.2°	180.0°
C9	C8	C7	C10	179.3°	179.9°
C8	C9	N1	C4	178.3°	180.0°
C7	C10	O1	O2	177.2°	180.0°
C10	C7	C6	H7	1.3°	0.0°
C10	C7	C8	H8	0.7°	0.1°
C7	C10	O1	H9	177.2°	180.0°
O2	C10	O1	H9	0.0°	0.1°
C9	N1	C1	H1	0.1°	90.0°
C9	N1	C1	H2	119.9°	30.0°
C9	N1	C1	H3	120.1°	150.0°
C9	N1	C2	H4	179.0°	179.7°
N1	C9	C8	H8	1.0°	0.1°
C9	C4	C5	H6	179.2°	180.0°
C9	C4	C3	H5	179.5°	179.7°
C4	C9	C8	H8	179.1°	179.9°
H1	C1	H2	H3	120.0°	119.9°
H4	C2	C3	H5	0.9°	0.1°
H6	C5	C6	H7	0.2°	0.1°

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PDB entries from 2026-03-18

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