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Summary Geometry Related PDB entries

DTL

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	sing	1.53Å	1.52Å
C1	O1	sing	1.43Å	1.42Å
C1	H1C1	sing	1.09Å	1.10Å
C1	H1C2	sing	1.09Å	1.10Å
C2	C3	sing	1.53Å	1.54Å
C2	O2	sing	1.43Å	1.43Å
C2	H2	sing	1.09Å	1.10Å
C3	C4	sing	1.53Å	1.54Å
C3	O3	sing	1.43Å	1.45Å
C3	H3	sing	1.09Å	1.10Å
C4	O4	sing	1.43Å	1.43Å
C4	H4C1	sing	1.09Å	1.10Å
C4	H4C2	sing	1.09Å	1.10Å
O1	H1	sing	0.97Å	0.95Å
O2	HA	sing	0.97Å	0.95Å
O3	HB	sing	0.97Å	0.95Å
O4	H4	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	O1	111.3°	109.5°
C2	C1	H1C1	109.0°	109.5°
C2	C1	H1C2	109.0°	109.5°
C1	C2	C3	110.6°	109.5°
C1	C2	O2	109.5°	109.5°
C1	C2	H2	108.5°	109.5°
O1	C1	H1C1	109.0°	109.5°
O1	C1	H1C2	109.0°	109.5°
C1	O1	H1	109.5°	114.0°
H1C1	C1	H1C2	109.5°	109.5°
C3	C2	O2	110.2°	109.5°
C3	C2	H2	108.3°	109.4°
C2	C3	C4	110.1°	109.5°
C2	C3	O3	110.4°	109.5°
C2	C3	H3	108.3°	109.4°
O2	C2	H2	109.7°	109.5°
C2	O2	HA	109.5°	114.0°
C4	C3	O3	110.3°	109.5°
C4	C3	H3	108.2°	109.5°
C3	C4	O4	111.2°	109.5°
C3	C4	H4C1	109.0°	109.5°
C3	C4	H4C2	109.0°	109.5°
O3	C3	H3	109.4°	109.5°
C3	O3	HB	109.5°	114.0°
O4	C4	H4C1	109.0°	109.5°
O4	C4	H4C2	109.0°	109.5°
C4	O4	H4	109.5°	114.0°
H4C1	C4	H4C2	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	O1	H1C1	120.3°	120.0°
C2	C1	O1	H1C2	120.3°	120.0°
C2	C1	H1C1	H1C2	119.1°	120.0°
C1	C2	C3	O2	121.2°	120.0°
C1	C2	C3	H2	118.8°	120.0°
C1	C2	O2	H2	119.0°	120.0°
C1	C2	C3	C4	174.8°	175.0°
C1	C2	C3	O3	63.1°	55.0°
C1	C2	C3	H3	56.7°	65.0°
C2	C1	O1	H1	180.0°	180.0°
C1	C2	O2	HA	180.0°	60.0°
O1	C1	H1C1	H1C2	119.2°	120.0°
O1	C1	C2	C3	66.4°	175.0°
O1	C1	C2	O2	172.0°	65.0°
O1	C1	C2	H2	52.3°	55.0°
H1C1	C1	C2	C3	173.3°	65.0°
H1C1	C1	C2	O2	51.7°	55.0°
H1C1	C1	C2	H2	68.0°	175.0°
H1C1	C1	O1	H1	59.8°	60.0°
H1C2	C1	C2	C3	53.9°	55.0°
H1C2	C1	C2	O2	67.7°	175.0°
H1C2	C1	C2	H2	172.5°	65.0°
H1C2	C1	O1	H1	59.7°	60.0°
C3	C2	O2	H2	119.1°	120.0°
C2	C3	C4	O3	122.2°	120.0°
C2	C3	C4	H3	118.1°	120.0°
C2	C3	O3	H3	119.1°	120.0°
C2	C3	C4	O4	73.4°	175.0°
C2	C3	C4	H4C1	166.4°	65.0°
C2	C3	C4	H4C2	46.9°	55.0°
C3	C2	O2	HA	58.1°	60.0°
C2	C3	O3	HB	180.0°	60.0°
O2	C2	C3	C4	64.0°	55.0°
O2	C2	C3	O3	58.1°	65.0°
O2	C2	C3	H3	177.9°	175.0°
H2	C2	C3	C4	56.0°	65.0°
H2	C2	C3	O3	178.1°	175.0°
H2	C2	C3	H3	62.1°	55.0°
H2	C2	O2	HA	61.0°	179.9°
C4	C3	O3	H3	118.9°	120.0°
C3	C4	O4	H4C1	120.3°	120.0°
C3	C4	O4	H4C2	120.2°	120.0°
C3	C4	H4C1	H4C2	119.2°	120.0°
C4	C3	O3	HB	58.0°	60.0°
C3	C4	O4	H4	180.0°	180.0°
O3	C3	C4	O4	164.5°	65.0°
O3	C3	C4	H4C1	44.2°	55.0°
O3	C3	C4	H4C2	75.3°	175.0°
H3	C3	C4	O4	44.8°	55.0°
H3	C3	C4	H4C1	75.5°	175.0°
H3	C3	C4	H4C2	165.1°	65.0°
H3	C3	O3	HB	60.9°	179.9°
O4	C4	H4C1	H4C2	119.2°	120.0°
H4C1	C4	O4	H4	59.7°	60.0°
H4C2	C4	O4	H4	59.8°	60.0°

222415

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