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Summary Geometry Related PDB entries

34H

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	O1	doub	1.21Å	1.23Å
C1	C2	sing	1.51Å	1.50Å
C1	O2	sing	1.34Å	1.26Å
C2	O4	sing	1.43Å	1.42Å
C2	C3	sing	1.53Å	1.52Å
C3	C4	sing	1.51Å	1.49Å
C4	C9	sing	1.38Å	1.41Å	Aromatic
C4	C5	doub	1.38Å	1.38Å	Aromatic
C7	C8	sing	1.39Å	1.39Å	Aromatic
C7	C6	doub	1.39Å	1.41Å	Aromatic
C7	O3	sing	1.36Å	1.36Å
C9	C8	doub	1.38Å	1.40Å	Aromatic
C5	C6	sing	1.38Å	1.39Å	Aromatic
C2	H2	sing	1.09Å	1.10Å
O2	HO2	sing	0.97Å	0.95Å
O4	H4	sing	0.97Å	0.95Å
C3	H31	sing	1.09Å	1.10Å
C3	H32	sing	1.09Å	1.10Å
C9	H9	sing	1.08Å	1.08Å
C5	H5	sing	1.08Å	1.08Å
C8	H8	sing	1.08Å	1.08Å
C6	H6	sing	1.08Å	1.08Å
O3	HO3	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1	C1	C2	113.2°	120.0°
O1	C1	O2	125.0°	120.0°
C2	C1	O2	121.7°	120.0°
C1	C2	O4	112.8°	109.5°
C1	C2	C3	117.5°	109.5°
C1	C2	H2	103.2°	109.5°
C1	O2	HO2	109.5°	117.0°
O4	C2	C3	115.7°	109.5°
O4	C2	H2	105.7°	109.5°
C2	O4	H4	109.5°	114.0°
C2	C3	C4	114.2°	109.5°
C3	C2	H2	99.1°	109.4°
C2	C3	H31	107.9°	109.5°
C2	C3	H32	106.8°	109.5°
C3	C4	C9	120.6°	120.0°
C3	C4	C5	118.2°	119.9°
C4	C3	H31	107.9°	109.5°
C4	C3	H32	106.8°	109.4°
C9	C4	C5	121.1°	120.1°
C4	C9	C8	120.9°	120.1°
C4	C9	H9	119.5°	119.9°
C4	C5	C6	118.0°	120.1°
C4	C5	H5	121.0°	120.0°
C8	C7	C6	120.5°	119.9°
C8	C7	O3	121.5°	120.1°
C7	C8	C9	117.9°	120.0°
C7	C8	H8	121.0°	120.1°
C6	C7	O3	118.0°	120.0°
C7	C6	C5	121.5°	119.9°
C7	C6	H6	119.2°	120.1°
C7	O3	HO3	109.5°	114.0°
C8	C9	H9	119.5°	120.0°
C9	C8	H8	121.0°	120.0°
C6	C5	H5	121.0°	119.9°
C5	C6	H6	119.2°	120.0°
H31	C3	H32	113.3°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C1	C2	O2	176.9°	179.8°
O1	C1	C2	O4	6.5°	5.0°
O1	C1	C2	C3	132.1°	115.0°
O1	C1	C2	H2	120.2°	125.1°
O1	C1	O2	HO2	0.0°	0.1°
C1	C2	O4	C3	139.4°	120.0°
C1	C2	O4	H2	112.0°	120.0°
C1	C2	C3	H2	110.1°	120.0°
C1	C2	C3	C4	82.3°	175.0°
C2	C1	O2	HO2	176.5°	179.7°
C1	C2	O4	H4	30.7°	60.0°
C1	C2	C3	H31	157.7°	55.0°
C1	C2	C3	H32	35.6°	65.1°
O2	C1	C2	O4	170.3°	174.8°
O2	C1	C2	C3	51.1°	65.2°
O2	C1	C2	H2	56.7°	54.7°
O4	C2	C3	H2	112.4°	120.0°
O4	C2	C3	C4	55.1°	65.0°
O4	C2	C3	H31	64.9°	175.0°
O4	C2	C3	H32	173.0°	55.0°
C2	C3	C4	H31	120.0°	120.0°
C2	C3	C4	H32	117.9°	120.0°
C2	C3	C4	C9	98.6°	90.0°
C2	C3	C4	C5	83.9°	90.2°
C3	C2	O4	H4	108.7°	60.0°
C2	C3	H31	H32	118.1°	120.0°
C3	C4	C9	C5	177.4°	179.8°
C3	C4	C9	C8	178.6°	180.0°
C3	C4	C5	C6	178.5°	180.0°
C4	C3	C2	H2	167.6°	55.0°
C4	C3	H31	H32	118.0°	120.0°
C3	C4	C9	H9	1.4°	0.0°
C3	C4	C5	H5	1.5°	0.1°
C4	C9	C8	C7	0.8°	0.0°
C4	C9	C8	H9	180.0°	180.0°
C9	C4	C5	C6	1.1°	0.2°
C9	C4	C3	H31	21.4°	30.0°
C9	C4	C3	H32	143.5°	150.0°
C9	C4	C5	H5	178.9°	179.7°
C4	C9	C8	H8	179.3°	179.7°
C4	C5	C6	C7	0.5°	0.1°
C5	C4	C9	C8	1.2°	0.2°
C4	C5	C6	H5	180.0°	179.9°
C5	C4	C3	H31	156.1°	149.8°
C5	C4	C3	H32	34.0°	29.8°
C5	C4	C9	H9	178.8°	179.7°
C4	C5	C6	H6	179.5°	179.7°
C8	C7	C6	O3	179.8°	179.7°
C7	C8	C9	H8	180.0°	179.7°
C8	C7	C6	C5	0.1°	0.3°
C7	C8	C9	H9	179.2°	180.0°
C8	C7	C6	H6	179.9°	180.0°
C8	C7	O3	HO3	3.9°	90.0°
C6	C7	C8	C9	0.2°	0.3°
C7	C6	C5	H6	180.0°	179.6°
C7	C6	C5	H5	179.4°	180.0°
C6	C7	C8	H8	179.8°	180.0°
C6	C7	O3	HO3	176.4°	89.7°
O3	C7	C8	C9	179.5°	180.0°
O3	C7	C6	C5	179.6°	179.9°
O3	C7	C8	H8	0.4°	0.3°
O3	C7	C6	H6	0.3°	0.3°
H2	C2	O4	H4	142.7°	180.0°
H2	C2	C3	H31	47.6°	65.0°
H2	C2	C3	H32	74.6°	175.0°
H9	C9	C8	H8	0.7°	0.3°
H5	C5	C6	H6	0.5°	0.4°

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