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Summary Geometry Related PDB entries

3HP

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C8	O1	doub	1.21Å	1.26Å
C8	O2	sing	1.34Å	1.28Å
C8	C7	sing	1.51Å	1.52Å
O2	HO2	sing	0.97Å	0.95Å
C7	C1	sing	1.51Å	1.52Å
C7	H71	sing	1.09Å	1.12Å
C7	H72	sing	1.09Å	1.12Å
C1	C2	sing	1.38Å	1.40Å	Aromatic
C1	C6	doub	1.38Å	1.41Å	Aromatic
C2	C3	doub	1.39Å	1.41Å	Aromatic
C2	H2	sing	1.08Å	1.10Å
C3	C4	sing	1.39Å	1.39Å	Aromatic
C3	O3	sing	1.36Å	1.39Å
C4	C5	doub	1.38Å	1.38Å	Aromatic
C4	H4	sing	1.08Å	1.10Å
C5	C6	sing	1.38Å	1.41Å	Aromatic
C5	H5	sing	1.08Å	1.10Å
C6	H6	sing	1.08Å	1.10Å
O3	HO3	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1	C8	O2	125.0°	120.0°
O1	C8	C7	114.7°	120.0°
O2	C8	C7	120.2°	120.1°
C8	O2	HO2	124.9°	120.1°
C8	C7	C1	114.6°	109.5°
C8	C7	H71	110.4°	109.4°
C8	C7	H72	110.4°	109.5°
C1	C7	H71	110.3°	109.5°
C1	C7	H72	110.3°	109.5°
C7	C1	C2	126.2°	120.0°
C7	C1	C6	114.4°	119.9°
H71	C7	H72	99.9°	109.4°
C2	C1	C6	119.4°	120.1°
C1	C2	C3	118.7°	119.9°
C1	C2	H2	120.3°	120.1°
C1	C6	C5	120.4°	120.1°
C1	C6	H6	119.8°	120.0°
C3	C2	H2	121.0°	120.0°
C2	C3	C4	121.7°	119.9°
C2	C3	O3	119.5°	120.0°
C4	C3	O3	118.4°	120.1°
C3	C4	C5	119.2°	120.0°
C3	C4	H4	121.0°	120.0°
C3	O3	HO3	119.5°	106.9°
C5	C4	H4	119.7°	120.0°
C4	C5	C6	120.6°	120.0°
C4	C5	H5	118.5°	120.0°
C6	C5	H5	120.9°	120.0°
C5	C6	H6	119.8°	119.9°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C8	O2	C7	177.2°	179.9°
O1	C8	O2	HO2	180.0°	0.1°
O1	C8	C7	C1	102.1°	0.1°
O1	C8	C7	H71	23.2°	120.1°
O1	C8	C7	H72	132.7°	120.0°
O2	C8	C7	C1	80.5°	180.0°
O2	C8	C7	H71	154.3°	60.0°
O2	C8	C7	H72	44.8°	59.9°
C7	C8	O2	HO2	2.8°	180.0°
C8	C7	C1	H71	125.3°	120.0°
C8	C7	C1	H72	125.3°	120.1°
C8	C7	H71	H72	116.2°	120.0°
C8	C7	C1	C2	75.0°	90.3°
C8	C7	C1	C6	108.3°	90.0°
C1	C7	H71	H72	116.1°	120.0°
C7	C1	C2	C6	176.5°	179.7°
C7	C1	C2	C3	175.6°	179.8°
C7	C1	C2	H2	4.3°	0.3°
C7	C1	C6	C5	177.4°	179.9°
C7	C1	C6	H6	2.5°	0.0°
H71	C7	C1	C2	50.3°	149.7°
H71	C7	C1	C6	126.4°	30.0°
H72	C7	C1	C2	159.7°	29.7°
H72	C7	C1	C6	17.0°	150.0°
C1	C2	C3	H2	179.9°	179.5°
C1	C2	C3	C4	2.0°	0.5°
C1	C2	C3	O3	174.7°	179.8°
C2	C1	C6	C5	0.5°	0.2°
C2	C1	C6	H6	179.4°	179.7°
C6	C1	C2	C3	0.9°	0.5°
C6	C1	C2	H2	179.2°	180.0°
C1	C6	C5	C4	0.8°	0.1°
C1	C6	C5	H6	179.9°	179.9°
C1	C6	C5	H5	179.2°	180.0°
C2	C3	C4	O3	172.8°	179.8°
C2	C3	C4	C5	1.7°	0.2°
C2	C3	C4	H4	178.3°	179.8°
C2	C3	O3	HO3	180.0°	89.8°
H2	C2	C3	C4	178.1°	180.0°
H2	C2	C3	O3	5.4°	0.3°
C3	C4	C5	H4	180.0°	180.0°
C3	C4	C5	C6	0.3°	0.1°
C3	C4	C5	H5	179.7°	179.9°
C4	C3	O3	HO3	7.1°	90.0°
O3	C3	C4	C5	174.5°	179.9°
O3	C3	C4	H4	5.6°	0.0°
C4	C5	C6	H5	180.0°	180.0°
C4	C5	C6	H6	179.1°	180.0°
H4	C4	C5	C6	179.7°	179.9°
H4	C4	C5	H5	0.3°	0.0°
H5	C5	C6	H6	0.8°	0.1°

218853

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