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Summary Geometry Related PDB entries

C9C

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O1	C1	sing	1.43Å	1.53Å
C1	C2	sing	1.53Å	1.60Å
C2	O2	sing	1.45Å	1.55Å
O2	C3	sing	1.35Å	1.51Å
O3	C3	doub	1.21Å	1.24Å
C3	C4	sing	1.48Å	1.52Å
C4	C9	doub	1.40Å	1.40Å	Aromatic
C4	C5	sing	1.40Å	1.41Å	Aromatic
C9	C8	sing	1.38Å	1.40Å	Aromatic
C5	C6	doub	1.38Å	1.40Å	Aromatic
C6	C7	sing	1.40Å	1.39Å	Aromatic
C8	C7	doub	1.40Å	1.42Å	Aromatic
C7	C10	sing	1.48Å	1.54Å
C10	O4	sing	1.35Å	1.27Å
C2	H1	sing	1.09Å	1.10Å
C2	H2	sing	1.09Å	1.10Å
C5	H3	sing	1.08Å	1.08Å
C6	H4	sing	1.08Å	1.08Å
C8	H5	sing	1.08Å	1.08Å
C1	H6	sing	1.09Å	1.10Å
C1	H7	sing	1.09Å	1.10Å
O1	H8	sing	0.97Å	0.95Å
C9	H9	sing	1.08Å	1.08Å
O4	H12	sing	0.97Å	0.95Å
C10	O5	doub	1.21Å	1.43Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1	C1	C2	130.9°	109.5°
O1	C1	H6	103.9°	109.5°
O1	C1	H7	103.9°	109.5°
C1	O1	H8	109.5°	114.0°
C1	C2	O2	127.2°	109.5°
C1	C2	H1	104.9°	109.4°
C1	C2	H2	104.9°	109.5°
C2	C1	H6	103.9°	109.5°
C2	C1	H7	103.9°	109.5°
C2	O2	C3	122.2°	117.0°
O2	C2	H1	104.9°	109.5°
O2	C2	H2	104.9°	109.5°
O2	C3	O3	118.4°	120.0°
O2	C3	C4	128.6°	120.0°
O3	C3	C4	112.9°	120.0°
C3	C4	C9	126.4°	120.0°
C3	C4	C5	117.3°	120.0°
C9	C4	C5	116.3°	120.0°
C4	C9	C8	120.9°	120.0°
C4	C9	H9	119.6°	119.9°
C4	C5	C6	123.0°	120.0°
C4	C5	H3	118.5°	119.9°
C9	C8	C7	122.3°	120.0°
C9	C8	H5	118.8°	120.0°
C8	C9	H9	119.6°	120.0°
C5	C6	C7	120.9°	120.0°
C6	C5	H3	118.5°	120.0°
C5	C6	H4	119.5°	120.0°
C6	C7	C8	116.5°	120.0°
C6	C7	C10	120.7°	120.0°
C7	C6	H4	119.5°	120.0°
C8	C7	C10	122.7°	120.0°
C7	C8	H5	118.9°	120.0°
C7	C10	O4	113.3°	120.0°
C7	C10	O5	119.4°	119.9°
C10	O4	H12	109.5°	117.0°
O4	C10	O5	109.3°	120.1°
H1	C2	H2	109.5°	109.5°
H6	C1	H7	109.4°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C1	C2	H6	122.8°	120.0°
O1	C1	C2	H7	122.8°	120.0°
O1	C1	C2	O2	129.6°	65.0°
O1	C1	C2	H1	108.0°	175.0°
O1	C1	C2	H2	7.3°	55.0°
O1	C1	H6	H7	110.5°	120.0°
C1	C2	O2	H1	122.3°	120.0°
C1	C2	O2	H2	122.3°	120.0°
C1	C2	O2	C3	123.6°	180.0°
C1	C2	H1	H2	112.1°	120.0°
C2	C1	H6	H7	110.4°	120.0°
C2	C1	O1	H8	180.0°	180.0°
C2	O2	C3	O3	11.0°	0.1°
C2	O2	C3	C4	166.0°	180.0°
O2	C2	H1	H2	112.1°	120.1°
O2	C2	C1	H6	6.9°	175.0°
O2	C2	C1	H7	107.6°	55.0°
O2	C3	O3	C4	177.5°	179.9°
O2	C3	C4	C9	9.6°	180.0°
O2	C3	C4	C5	172.1°	0.2°
C3	O2	C2	H1	114.1°	60.1°
C3	O2	C2	H2	1.3°	60.0°
O3	C3	C4	C9	167.5°	0.1°
O3	C3	C4	C5	10.8°	179.7°
C3	C4	C9	C5	178.3°	179.8°
C3	C4	C9	C8	178.3°	179.8°
C3	C4	C5	C6	179.6°	180.0°
C3	C4	C5	H3	0.4°	0.0°
C3	C4	C9	H9	1.7°	0.0°
C4	C9	C8	H9	180.0°	179.7°
C9	C4	C5	C6	1.9°	0.2°
C4	C9	C8	C7	2.2°	0.5°
C9	C4	C5	H3	178.1°	179.8°
C4	C9	C8	H5	177.8°	179.7°
C5	C4	C9	C8	0.0°	0.5°
C4	C5	C6	H3	180.0°	180.0°
C4	C5	C6	C7	1.6°	0.0°
C4	C5	C6	H4	178.5°	180.0°
C5	C4	C9	H9	180.0°	179.8°
C9	C8	C7	C6	2.5°	0.2°
C9	C8	C7	H5	180.0°	179.8°
C9	C8	C7	C10	179.3°	179.8°
C5	C6	C7	H4	180.0°	180.0°
C5	C6	C7	C8	0.6°	0.0°
C5	C6	C7	C10	177.5°	180.0°
C6	C7	C8	C10	176.8°	180.0°
C6	C7	C10	O4	151.6°	180.0°
C7	C6	C5	H3	178.4°	180.0°
C6	C7	C8	H5	177.5°	180.0°
C6	C7	C10	O5	77.4°	0.0°
C8	C7	C10	O4	31.7°	0.0°
C8	C7	C6	H4	179.3°	180.0°
C7	C8	C9	H9	177.8°	179.8°
C8	C7	C10	O5	99.3°	180.0°
C7	C10	O4	O5	135.9°	179.9°
C10	C7	C6	H4	2.5°	0.0°
C10	C7	C8	H5	0.7°	0.0°
C7	C10	O4	H12	135.9°	180.0°
H1	C2	C1	H6	129.2°	55.0°
H1	C2	C1	H7	14.7°	65.0°
H2	C2	C1	H6	115.5°	65.0°
H2	C2	C1	H7	130.0°	175.0°
H3	C5	C6	H4	1.5°	0.1°
H5	C8	C9	H9	2.2°	0.0°
H6	C1	O1	H8	57.2°	60.0°
H7	C1	O1	H8	57.2°	60.0°
H12	O4	C10	O5	0.0°	0.1°

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