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Summary Geometry Related PDB entries

A1ED8

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O1	C1	doub	1.21Å	1.23Å
C1	N1	sing	1.35Å	1.33Å
C1	C2	sing	1.51Å	1.52Å
C2	C3	sing	1.51Å	1.51Å
C8	C7	doub	1.38Å	1.38Å	Aromatic
C8	C3	sing	1.38Å	1.39Å	Aromatic
C7	C6	sing	1.39Å	1.38Å	Aromatic
C3	C4	doub	1.38Å	1.39Å	Aromatic
C6	O2	sing	1.36Å	1.37Å
C6	C5	doub	1.39Å	1.39Å	Aromatic
C4	C5	sing	1.38Å	1.39Å	Aromatic
N1	H1	sing	0.97Å	1.00Å
N1	H2	sing	0.97Å	1.00Å
C4	H3	sing	1.08Å	1.08Å
C5	H4	sing	1.08Å	1.08Å
C7	H5	sing	1.08Å	1.08Å
C8	H6	sing	1.08Å	1.08Å
C2	H7	sing	1.09Å	1.10Å
C2	H8	sing	1.09Å	1.10Å
O2	H9	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1	C1	N1	123.2°	120.0°
O1	C1	C2	121.2°	120.0°
N1	C1	C2	115.6°	120.0°
C1	N1	H1	120.0°	120.0°
C1	N1	H2	120.0°	120.1°
C1	C2	C3	110.9°	109.5°
C1	C2	H7	109.1°	109.5°
C1	C2	H8	109.1°	109.5°
C2	C3	C8	120.4°	119.9°
C2	C3	C4	121.5°	120.0°
C3	C2	H7	109.1°	109.5°
C3	C2	H8	109.1°	109.5°
C7	C8	C3	121.5°	120.1°
C8	C7	C6	119.6°	119.9°
C8	C7	H5	120.2°	120.1°
C7	C8	H6	119.2°	119.9°
C8	C3	C4	118.1°	120.1°
C3	C8	H6	119.2°	120.0°
C7	C6	O2	119.4°	120.1°
C7	C6	C5	119.7°	119.9°
C6	C7	H5	120.2°	120.0°
C3	C4	C5	121.0°	120.0°
C3	C4	H3	119.5°	120.0°
O2	C6	C5	120.9°	120.1°
C6	O2	H9	109.5°	114.0°
C6	C5	C4	120.1°	120.0°
C6	C5	H4	119.9°	120.0°
C5	C4	H3	119.5°	120.0°
C4	C5	H4	120.0°	120.0°
H1	N1	H2	120.0°	120.0°
H7	C2	H8	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C1	N1	C2	178.7°	180.0°
O1	C1	C2	C3	178.8°	0.0°
O1	C1	N1	H1	0.0°	180.0°
O1	C1	N1	H2	180.0°	0.3°
O1	C1	C2	H7	58.5°	120.0°
O1	C1	C2	H8	61.0°	120.0°
N1	C1	C2	C3	0.1°	180.0°
C1	N1	H1	H2	180.0°	179.7°
N1	C1	C2	H7	120.2°	60.0°
N1	C1	C2	H8	120.2°	60.0°
C1	C2	C3	H7	120.2°	120.0°
C1	C2	C3	H8	120.2°	120.0°
C1	C2	C3	C8	82.7°	90.0°
C1	C2	C3	C4	97.0°	90.5°
C2	C1	N1	H1	178.7°	0.0°
C2	C1	N1	H2	1.3°	179.7°
C1	C2	H7	H8	119.4°	120.0°
C2	C3	C8	C7	179.8°	180.0°
C2	C3	C8	C4	179.7°	179.5°
C2	C3	C4	C5	179.8°	180.0°
C2	C3	C4	H3	0.2°	0.3°
C2	C3	C8	H6	0.2°	0.3°
C3	C2	H7	H8	119.3°	120.0°
C7	C8	C3	H6	180.0°	179.7°
C8	C7	C6	H5	180.0°	180.0°
C7	C8	C3	C4	0.5°	0.6°
C8	C7	C6	O2	179.9°	179.9°
C8	C7	C6	C5	0.1°	0.0°
C3	C8	C7	C6	0.2°	0.3°
C8	C3	C4	C5	0.6°	0.6°
C8	C3	C4	H3	179.4°	179.8°
C3	C8	C7	H5	179.8°	179.7°
C8	C3	C2	H7	157.1°	30.0°
C8	C3	C2	H8	37.6°	150.0°
C7	C6	O2	C5	179.8°	179.9°
C7	C6	C5	C4	0.0°	0.0°
C7	C6	C5	H4	180.0°	180.0°
C6	C7	C8	H6	179.8°	180.0°
C7	C6	O2	H9	180.0°	90.0°
C3	C4	C5	C6	0.3°	0.3°
C3	C4	C5	H3	180.0°	179.6°
C3	C4	C5	H4	179.7°	179.7°
C4	C3	C8	H6	179.5°	179.7°
C4	C3	C2	H7	23.3°	149.5°
C4	C3	C2	H8	142.8°	29.5°
O2	C6	C5	C4	179.8°	179.9°
O2	C6	C5	H4	0.2°	0.0°
O2	C6	C7	H5	0.1°	0.0°
C6	C5	C4	H4	180.0°	180.0°
C6	C5	C4	H3	179.7°	179.9°
C5	C6	C7	H5	179.9°	180.0°
C5	C6	O2	H9	0.2°	90.0°
H3	C4	C5	H4	0.3°	0.1°
H5	C7	C8	H6	0.2°	0.0°

248335

PDB entries from 2026-01-28

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