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Summary Geometry Related PDB entries

A1EJ2

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O1	C1	doub	1.21Å	1.19Å
C1	C2	sing	1.51Å	1.50Å
O2	C2	sing	1.43Å	1.43Å
C2	C3	sing	1.53Å	1.54Å
C3	O3	sing	1.43Å	1.43Å
C3	C4	sing	1.53Å	1.52Å
C4	O4	sing	1.43Å	1.42Å
C3	H3	sing	1.09Å	1.10Å
C2	H2	sing	1.09Å	1.10Å
C4	H41	sing	1.09Å	1.10Å
C4	H42	sing	1.09Å	1.10Å
C1	H1	sing	1.08Å	1.08Å
O3	HO3	sing	0.97Å	0.95Å
O2	HO2	sing	0.97Å	0.95Å
O4	HO4	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1	C1	C2	124.8°	120.0°
O1	C1	H1	117.6°	120.0°
C1	C2	O2	110.0°	109.4°
C1	C2	C3	111.2°	109.5°
C1	C2	H2	108.9°	109.5°
C2	C1	H1	117.6°	120.0°
O2	C2	C3	108.5°	109.5°
O2	C2	H2	109.8°	109.5°
C2	O2	HO2	109.5°	114.0°
C2	C3	O3	109.7°	109.4°
C2	C3	C4	112.1°	109.5°
C2	C3	H3	108.2°	109.4°
C3	C2	H2	108.4°	109.5°
O3	C3	C4	108.8°	109.5°
O3	C3	H3	109.6°	109.4°
C3	O3	HO3	109.5°	114.0°
C3	C4	O4	110.9°	109.5°
C4	C3	H3	108.4°	109.5°
C3	C4	H41	109.1°	109.5°
C3	C4	H42	109.1°	109.5°
O4	C4	H41	109.1°	109.5°
O4	C4	H42	109.1°	109.5°
C4	O4	HO4	109.5°	114.0°
H41	C4	H42	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C1	C2	H1	180.0°	179.9°
O1	C1	C2	O2	39.9°	0.1°
O1	C1	C2	C3	80.4°	120.0°
O1	C1	C2	H2	160.2°	119.9°
C1	C2	O2	C3	121.9°	120.0°
C1	C2	O2	H2	119.8°	120.0°
C1	C2	C3	H2	119.6°	120.0°
C1	C2	C3	O3	37.5°	60.0°
C1	C2	C3	C4	158.5°	180.0°
C1	C2	C3	H3	82.0°	60.0°
C1	C2	O2	HO2	15.2°	60.0°
O2	C2	C3	H2	119.2°	120.0°
O2	C2	C3	O3	158.7°	179.9°
O2	C2	C3	C4	80.3°	60.0°
O2	C2	C3	H3	39.1°	60.0°
O2	C2	C1	H1	140.1°	180.0°
C2	C3	O3	C4	122.9°	120.0°
C2	C3	O3	H3	118.7°	119.9°
C2	C3	C4	H3	119.3°	120.0°
C2	C3	C4	O4	174.4°	175.0°
C2	C3	C4	H41	65.4°	55.0°
C2	C3	C4	H42	54.2°	65.0°
C3	C2	C1	H1	99.6°	60.1°
C2	C3	O3	HO3	180.0°	60.1°
C3	C2	O2	HO2	106.6°	60.0°
O3	C3	C4	H3	119.2°	120.0°
O3	C3	C4	O4	53.0°	65.0°
O3	C3	C2	H2	82.1°	60.0°
O3	C3	C4	H41	173.1°	175.0°
O3	C3	C4	H42	67.2°	55.0°
C3	C4	O4	H41	120.2°	120.0°
C3	C4	O4	H42	120.2°	120.0°
C4	C3	C2	H2	38.8°	60.0°
C3	C4	H41	H42	119.4°	120.0°
C4	C3	O3	HO3	57.1°	60.0°
C3	C4	O4	HO4	180.0°	180.0°
O4	C4	C3	H3	66.2°	55.0°
O4	C4	H41	H42	119.4°	120.0°
H3	C3	C2	H2	158.3°	180.0°
H3	C3	C4	H41	54.0°	65.0°
H3	C3	C4	H42	173.6°	175.0°
H3	C3	O3	HO3	61.4°	180.0°
H2	C2	C1	H1	19.8°	60.0°
H2	C2	O2	HO2	135.0°	180.0°
H41	C4	O4	HO4	59.8°	60.0°
H42	C4	O4	HO4	59.8°	60.0°

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PDB entries from 2026-03-18

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