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Summary Geometry Related PDB entries

3HR

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	O1	doub	1.21Å	1.21Å
C1	C2	sing	1.51Å	1.52Å
C1	O3	sing	1.34Å	1.35Å
C2	C3	sing	1.53Å	1.51Å
O2	C3	sing	1.43Å	1.51Å
C3	C4	sing	1.53Å	1.50Å
C2	H2	sing	1.09Å	1.10Å
C2	H2A	sing	1.09Å	1.10Å
O2	HO2	sing	0.97Å	0.95Å
C3	H3	sing	1.09Å	1.10Å
O3	HO3	sing	0.97Å	0.95Å
C4	H4	sing	1.09Å	1.10Å
C4	H4A	sing	1.09Å	1.10Å
C4	H4B	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1	C1	C2	120.9°	120.0°
O1	C1	O3	119.4°	120.0°
C2	C1	O3	119.7°	120.0°
C1	C2	C3	111.1°	109.4°
C1	C2	H2	109.1°	109.5°
C1	C2	H2A	109.1°	109.5°
C1	O3	HO3	109.5°	117.0°
C2	C3	O2	115.9°	109.5°
C2	C3	C4	114.4°	109.4°
C3	C2	H2	109.1°	109.5°
C3	C2	H2A	109.1°	109.5°
C2	C3	H3	103.7°	109.5°
O2	C3	C4	113.3°	109.5°
C3	O2	HO2	109.5°	114.0°
O2	C3	H3	103.7°	109.5°
C4	C3	H3	103.8°	109.5°
C3	C4	H4	109.5°	109.5°
C3	C4	H4A	109.5°	109.4°
C3	C4	H4B	109.4°	109.4°
H2	C2	H2A	109.5°	109.5°
H4	C4	H4A	109.4°	109.5°
H4	C4	H4B	109.5°	109.5°
H4A	C4	H4B	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C1	C2	O3	179.8°	179.8°
O1	C1	C2	C3	0.0°	0.0°
O1	C1	C2	H2	120.3°	120.0°
O1	C1	C2	H2A	120.2°	120.0°
O1	C1	O3	HO3	0.0°	0.1°
C1	C2	C3	H2	120.3°	120.0°
C1	C2	C3	H2A	120.3°	120.0°
C1	C2	C3	O2	78.9°	65.0°
C1	C2	C3	C4	55.8°	175.0°
C1	C2	H2	H2A	119.3°	120.0°
C1	C2	C3	H3	168.2°	55.0°
C2	C1	O3	HO3	179.8°	179.7°
O3	C1	C2	C3	179.8°	179.8°
O3	C1	C2	H2	59.5°	59.8°
O3	C1	C2	H2A	60.0°	60.2°
C2	C3	O2	C4	135.2°	119.9°
C2	C3	O2	H3	113.0°	120.0°
C2	C3	C4	H3	112.3°	120.0°
C3	C2	H2	H2A	119.2°	120.0°
C2	C3	O2	HO2	180.0°	59.9°
C2	C3	C4	H4	180.0°	60.0°
C2	C3	C4	H4A	60.0°	180.0°
C2	C3	C4	H4B	60.0°	60.0°
O2	C3	C4	H3	111.8°	120.0°
O2	C3	C2	H2	41.4°	175.0°
O2	C3	C2	H2A	160.9°	55.0°
O2	C3	C4	H4	44.1°	60.0°
O2	C3	C4	H4A	164.1°	60.0°
O2	C3	C4	H4B	75.9°	180.0°
C4	C3	C2	H2	176.1°	55.0°
C4	C3	C2	H2A	64.4°	65.0°
C4	C3	O2	HO2	44.8°	60.0°
C3	C4	H4	H4A	120.0°	119.9°
C3	C4	H4	H4B	120.0°	120.0°
C3	C4	H4A	H4B	120.0°	119.9°
H2	C2	C3	H3	71.5°	65.0°
H2A	C2	C3	H3	47.9°	175.0°
HO2	O2	C3	H3	67.0°	179.9°
H3	C3	C4	H4	67.7°	180.0°
H3	C3	C4	H4A	52.3°	60.0°
H3	C3	C4	H4B	172.3°	60.0°
H4	C4	H4A	H4B	120.0°	120.1°

222415

PDB entries from 2024-07-10

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