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Summary Geometry Related PDB entries

HPP

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	doub	1.38Å	1.39Å	Aromatic
C1	C6	sing	1.38Å	1.39Å	Aromatic
C1	C7	sing	1.51Å	1.51Å
C2	C3	sing	1.38Å	1.39Å	Aromatic
C2	H2	sing	1.08Å	1.10Å
C3	C4	doub	1.39Å	1.38Å	Aromatic
C3	H3	sing	1.08Å	1.10Å
C4	O4	sing	1.36Å	1.38Å
C4	C5	sing	1.39Å	1.38Å	Aromatic
O4	HO4	sing	0.97Å	0.95Å
C5	C6	doub	1.38Å	1.38Å	Aromatic
C5	H5	sing	1.08Å	1.10Å
C6	H6	sing	1.08Å	1.10Å
C7	C8	sing	1.53Å	1.52Å
C7	H71	sing	1.09Å	1.11Å
C7	H72	sing	1.09Å	1.12Å
C8	C9	sing	1.51Å	1.52Å
C8	H81	sing	1.09Å	1.11Å
C8	H82	sing	1.09Å	1.12Å
C9	O1	doub	1.21Å	1.25Å
C9	O2	sing	1.34Å	1.25Å
O2	HO2	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	C6	118.0°	120.1°
C2	C1	C7	121.3°	119.9°
C1	C2	C3	121.3°	120.0°
C1	C2	H2	119.6°	120.0°
C6	C1	C7	120.7°	120.0°
C1	C6	C5	121.1°	120.0°
C1	C6	H6	119.8°	120.0°
C1	C7	C8	119.2°	109.4°
C1	C7	H71	108.7°	109.5°
C1	C7	H72	108.7°	109.4°
C3	C2	H2	119.0°	120.0°
C2	C3	C4	119.3°	120.0°
C2	C3	H3	120.6°	120.0°
C4	C3	H3	120.2°	120.1°
C3	C4	O4	121.0°	120.1°
C3	C4	C5	120.6°	119.8°
O4	C4	C5	118.3°	120.1°
C4	O4	HO4	121.0°	106.8°
C4	C5	C6	119.7°	120.0°
C4	C5	H5	120.2°	120.0°
C6	C5	H5	120.2°	120.0°
C5	C6	H6	119.0°	120.0°
C8	C7	H71	108.7°	109.6°
C8	C7	H72	108.7°	109.4°
C7	C8	C9	112.9°	109.5°
C7	C8	H81	111.0°	109.6°
C7	C8	H82	110.9°	109.4°
H71	C7	H72	101.3°	109.5°
C9	C8	H81	110.9°	109.5°
C9	C8	H82	111.0°	109.4°
C8	C9	O1	116.9°	120.0°
C8	C9	O2	120.5°	120.0°
H81	C8	H82	99.4°	109.5°
O1	C9	O2	122.6°	120.0°
C9	O2	HO2	120.6°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	C6	C7	179.9°	179.6°
C1	C2	C3	H2	180.0°	180.0°
C1	C2	C3	C4	0.2°	0.0°
C1	C2	C3	H3	179.9°	179.9°
C2	C1	C6	C5	0.4°	0.5°
C2	C1	C6	H6	179.6°	179.9°
C2	C1	C7	C8	89.3°	90.1°
C2	C1	C7	H71	145.4°	30.0°
C2	C1	C7	H72	36.0°	150.0°
C6	C1	C2	C3	0.3°	0.3°
C6	C1	C2	H2	179.7°	179.7°
C1	C6	C5	C4	0.4°	0.4°
C1	C6	C5	H6	179.9°	179.6°
C1	C6	C5	H5	179.6°	179.7°
C6	C1	C7	C8	90.8°	90.2°
C6	C1	C7	H71	34.5°	149.6°
C6	C1	C7	H72	143.9°	29.6°
C7	C1	C2	C3	179.9°	180.0°
C7	C1	C2	H2	0.2°	0.1°
C7	C1	C6	C5	179.7°	179.8°
C7	C1	C6	H6	0.3°	0.3°
C1	C7	C8	H71	125.3°	120.1°
C1	C7	C8	H72	125.3°	119.9°
C1	C7	H71	H72	114.4°	120.0°
C1	C7	C8	C9	55.5°	180.0°
C1	C7	C8	H81	69.8°	59.9°
C1	C7	C8	H82	179.3°	60.1°
C2	C3	C4	H3	180.0°	180.0°
C2	C3	C4	O4	179.7°	180.0°
C2	C3	C4	C5	0.2°	0.1°
H2	C2	C3	C4	179.8°	180.0°
H2	C2	C3	H3	0.2°	0.0°
C3	C4	O4	C5	179.6°	180.0°
C3	C4	O4	HO4	180.0°	89.9°
C3	C4	C5	C6	0.3°	0.2°
C3	C4	C5	H5	179.7°	180.0°
H3	C3	C4	O4	0.3°	0.0°
H3	C3	C4	C5	179.8°	180.0°
O4	C4	C5	C6	179.9°	179.8°
O4	C4	C5	H5	0.1°	0.1°
C5	C4	O4	HO4	0.5°	90.0°
C4	C5	C6	H5	180.0°	179.9°
C4	C5	C6	H6	179.5°	180.0°
H5	C5	C6	H6	0.4°	0.1°
C8	C7	H71	H72	114.4°	120.0°
C7	C8	C9	H81	125.3°	120.1°
C7	C8	C9	H82	125.2°	119.9°
C7	C8	H81	H82	116.8°	120.0°
C7	C8	C9	O1	98.3°	0.0°
C7	C8	C9	O2	81.2°	179.9°
H71	C7	C8	C9	179.2°	59.9°
H71	C7	C8	H81	55.5°	180.0°
H71	C7	C8	H82	54.0°	60.0°
H72	C7	C8	C9	69.8°	60.1°
H72	C7	C8	H81	164.9°	60.0°
H72	C7	C8	H82	55.4°	180.0°
C9	C8	H81	H82	116.9°	119.9°
C8	C9	O1	O2	179.4°	179.9°
C8	C9	O2	HO2	180.0°	180.0°
H81	C8	C9	O1	27.0°	120.1°
H81	C8	C9	O2	153.5°	60.0°
H82	C8	C9	O1	136.6°	119.9°
H82	C8	C9	O2	44.0°	60.0°
O1	C9	O2	HO2	0.6°	0.1°

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