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Summary Geometry Related PDB entries

A1EHD

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	N1	sing	1.46Å	1.45Å
N1	N2	sing	1.40Å	1.37Å	Aromatic
N1	C9	sing	1.37Å	1.36Å	Aromatic
N2	C2	doub	1.30Å	1.33Å	Aromatic
C9	C8	doub	1.39Å	1.40Å	Aromatic
C9	C4	sing	1.41Å	1.41Å	Aromatic
C2	C3	sing	1.51Å	1.49Å
C2	C4	sing	1.46Å	1.42Å	Aromatic
C8	C7	sing	1.37Å	1.38Å	Aromatic
C3	O1	sing	1.43Å	1.42Å
C4	C5	doub	1.40Å	1.40Å	Aromatic
C7	C6	doub	1.39Å	1.39Å	Aromatic
C5	C6	sing	1.36Å	1.37Å	Aromatic
C5	H1	sing	1.08Å	1.08Å
C6	H2	sing	1.08Å	1.08Å
C7	H3	sing	1.08Å	1.08Å
C8	H4	sing	1.08Å	1.08Å
C1	H5	sing	1.09Å	1.10Å
C1	H6	sing	1.09Å	1.10Å
C1	H7	sing	1.09Å	1.10Å
C3	H8	sing	1.09Å	1.10Å
C3	H9	sing	1.09Å	1.10Å
O1	H10	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C1	N1	N2	120.1°	125.4°
C1	N1	C9	128.4°	125.5°
N1	C1	H5	109.5°	109.5°
N1	C1	H6	109.4°	109.5°
N1	C1	H7	109.4°	109.5°
N2	N1	C9	111.5°	109.1°
N1	N2	C2	106.8°	110.0°
N1	C9	C8	131.5°	133.9°
N1	C9	C4	106.4°	106.7°
N2	C2	C3	123.3°	126.1°
N2	C2	C4	110.3°	107.8°
C8	C9	C4	122.1°	119.4°
C9	C8	C7	116.6°	119.9°
C9	C8	H4	121.7°	120.0°
C9	C4	C2	105.1°	106.3°
C9	C4	C5	119.6°	119.7°
C3	C2	C4	126.4°	126.1°
C2	C3	O1	111.9°	109.5°
C2	C3	H8	108.9°	109.4°
C2	C3	H9	108.9°	109.5°
C2	C4	C5	135.3°	134.0°
C8	C7	C6	121.9°	120.8°
C8	C7	H3	119.0°	119.6°
C7	C8	H4	121.7°	120.1°
O1	C3	H8	108.9°	109.5°
O1	C3	H9	108.9°	109.5°
C3	O1	H10	109.5°	114.0°
C4	C5	C6	118.0°	119.6°
C4	C5	H1	121.0°	120.2°
C7	C6	C5	121.7°	120.7°
C7	C6	H2	119.1°	119.6°
C6	C7	H3	119.0°	119.6°
C6	C5	H1	121.0°	120.2°
C5	C6	H2	119.1°	119.7°
H5	C1	H6	109.5°	109.4°
H5	C1	H7	109.5°	109.4°
H6	C1	H7	109.5°	109.5°
H8	C3	H9	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C1	N1	N2	C9	179.8°	179.7°
C1	N1	N2	C2	179.7°	179.8°
C1	N1	C9	C8	0.3°	0.3°
C1	N1	C9	C4	179.9°	179.8°
N1	C1	H5	H6	120.0°	120.0°
N1	C1	H5	H7	120.0°	120.1°
N1	C1	H6	H7	119.9°	120.1°
N2	N1	C9	C8	179.5°	179.9°
N2	N1	C9	C4	0.4°	0.0°
N1	N2	C2	C3	179.6°	179.9°
N1	N2	C2	C4	0.4°	0.0°
N2	N1	C1	H5	0.0°	90.0°
N2	N1	C1	H6	120.0°	150.0°
N2	N1	C1	H7	120.0°	30.0°
C9	N1	N2	C2	0.5°	0.0°
N1	C9	C8	C4	179.9°	179.9°
N1	C9	C4	C2	0.1°	0.0°
N1	C9	C8	C7	180.0°	179.9°
N1	C9	C4	C5	179.6°	180.0°
N1	C9	C8	H4	0.0°	0.1°
C9	N1	C1	H5	179.8°	89.7°
C9	N1	C1	H6	59.7°	30.3°
C9	N1	C1	H7	60.2°	150.3°
N2	C2	C4	C9	0.1°	0.0°
N2	C2	C3	C4	179.0°	179.9°
N2	C2	C3	O1	147.8°	89.9°
N2	C2	C4	C5	179.2°	180.0°
N2	C2	C3	H8	91.9°	30.1°
N2	C2	C3	H9	27.4°	150.0°
C8	C9	C4	C2	179.8°	179.9°
C9	C8	C7	H4	180.0°	179.9°
C8	C9	C4	C5	0.3°	0.1°
C9	C8	C7	C6	0.2°	0.0°
C9	C8	C7	H3	179.8°	180.0°
C9	C4	C2	C3	179.3°	179.9°
C9	C4	C2	C5	179.3°	180.0°
C4	C9	C8	C7	0.1°	0.0°
C9	C4	C5	C6	0.6°	0.1°
C9	C4	C5	H1	179.4°	180.0°
C4	C9	C8	H4	179.9°	180.0°
C2	C3	O1	H8	120.4°	120.0°
C2	C3	O1	H9	120.3°	120.0°
C3	C2	C4	C5	0.0°	0.0°
C2	C3	H8	H9	118.9°	119.9°
C2	C3	O1	H10	180.0°	180.0°
C4	C2	C3	O1	33.2°	90.0°
C2	C4	C5	C6	179.9°	179.9°
C2	C4	C5	H1	0.1°	0.0°
C4	C2	C3	H8	87.2°	150.0°
C4	C2	C3	H9	153.5°	30.1°
C8	C7	C6	H3	180.0°	180.0°
C8	C7	C6	C5	0.1°	0.0°
C8	C7	C6	H2	179.8°	179.9°
O1	C3	H8	H9	118.9°	120.0°
C4	C5	C6	C7	0.5°	0.1°
C4	C5	C6	H1	180.0°	179.9°
C4	C5	C6	H2	179.5°	180.0°
C7	C6	C5	H2	180.0°	179.9°
C7	C6	C5	H1	179.5°	180.0°
C6	C7	C8	H4	179.8°	179.9°
C5	C6	C7	H3	179.9°	179.9°
H1	C5	C6	H2	0.6°	0.1°
H2	C6	C7	H3	0.1°	0.0°
H3	C7	C8	H4	0.2°	0.0°
H5	C1	H6	H7	120.0°	119.9°
H8	C3	O1	H10	59.6°	60.0°
H9	C3	O1	H10	59.7°	60.0°

247947

PDB entries from 2026-01-21

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