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Summary Geometry Related PDB entries

O9F

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C6	C5	sing	1.51Å	1.50Å
C5	C4	sing	1.47Å	1.49Å
C5	O1	doub	1.21Å	1.22Å
C	O	sing	1.43Å	1.43Å
C7	C4	doub	1.40Å	1.40Å	Aromatic
C7	C8	sing	1.37Å	1.39Å	Aromatic
C4	C3	sing	1.40Å	1.39Å	Aromatic
C8	C1	doub	1.39Å	1.39Å	Aromatic
C3	C2	doub	1.37Å	1.38Å	Aromatic
C1	C2	sing	1.39Å	1.39Å	Aromatic
C1	O	sing	1.36Å	1.37Å
C2	H1	sing	1.08Å	1.08Å
C3	H2	sing	1.08Å	1.08Å
C6	H3	sing	1.09Å	1.10Å
C6	H4	sing	1.09Å	1.10Å
C6	H5	sing	1.09Å	1.10Å
C7	H6	sing	1.08Å	1.08Å
C8	H7	sing	1.08Å	1.08Å
C	H8	sing	1.09Å	1.10Å
C	H9	sing	1.09Å	1.10Å
C	H10	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C6	C5	C4	119.4°	120.0°
C6	C5	O1	120.3°	120.0°
C5	C6	H3	109.5°	109.4°
C5	C6	H4	109.5°	109.4°
C5	C6	H5	109.5°	109.4°
C4	C5	O1	120.3°	120.1°
C5	C4	C7	122.0°	120.1°
C5	C4	C3	119.4°	120.1°
C	O	C1	118.6°	117.0°
O	C	H8	109.5°	109.4°
O	C	H9	109.5°	109.5°
O	C	H10	109.5°	109.4°
C4	C7	C8	120.8°	119.8°
C7	C4	C3	118.6°	119.8°
C4	C7	H6	119.6°	120.1°
C7	C8	C1	119.9°	120.1°
C8	C7	H6	119.6°	120.1°
C7	C8	H7	120.0°	119.9°
C4	C3	C2	120.9°	119.9°
C4	C3	H2	119.5°	120.1°
C8	C1	C2	120.0°	120.3°
C8	C1	O	117.5°	119.8°
C1	C8	H7	120.1°	120.0°
C3	C2	C1	119.9°	120.1°
C3	C2	H1	120.1°	120.0°
C2	C3	H2	119.5°	120.0°
C2	C1	O	122.5°	119.9°
C1	C2	H1	120.0°	120.0°
H3	C6	H4	109.4°	109.5°
H3	C6	H5	109.5°	109.5°
H4	C6	H5	109.5°	109.5°
H8	C	H9	109.5°	109.5°
H8	C	H10	109.5°	109.5°
H9	C	H10	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C6	C5	C4	O1	179.9°	179.9°
C6	C5	C4	C7	20.1°	5.6°
C6	C5	C4	C3	159.7°	174.5°
C5	C6	H3	H4	120.0°	120.0°
C5	C6	H3	H5	120.0°	120.0°
C5	C6	H4	H5	120.0°	119.9°
C5	C4	C7	C3	179.8°	180.0°
C5	C4	C7	C8	179.5°	179.7°
C5	C4	C3	C2	179.6°	180.0°
C5	C4	C3	H2	0.4°	0.1°
C4	C5	C6	H3	179.9°	5.1°
C4	C5	C6	H4	60.1°	125.1°
C4	C5	C6	H5	59.9°	114.9°
C5	C4	C7	H6	0.5°	0.1°
O1	C5	C4	C7	159.9°	174.5°
O1	C5	C4	C3	20.2°	5.5°
O1	C5	C6	H3	0.0°	174.9°
O1	C5	C6	H4	120.0°	54.9°
O1	C5	C6	H5	120.0°	65.0°
C	O	C1	C8	140.5°	0.3°
C	O	C1	C2	40.4°	180.0°
O	C	H8	H9	120.0°	120.0°
O	C	H8	H10	120.0°	120.0°
O	C	H9	H10	120.0°	119.9°
C4	C7	C8	H6	180.0°	179.7°
C4	C7	C8	C1	0.2°	0.6°
C7	C4	C3	C2	0.3°	0.0°
C7	C4	C3	H2	179.7°	179.9°
C4	C7	C8	H7	179.8°	180.0°
C8	C7	C4	C3	0.3°	0.3°
C7	C8	C1	H7	180.0°	179.5°
C7	C8	C1	C2	0.7°	0.6°
C7	C8	C1	O	179.8°	179.7°
C4	C3	C2	H2	180.0°	179.9°
C4	C3	C2	C1	0.3°	0.0°
C4	C3	C2	H1	179.7°	180.0°
C3	C4	C7	H6	179.7°	180.0°
C8	C1	C2	C3	0.8°	0.3°
C8	C1	C2	O	179.0°	179.7°
C8	C1	C2	H1	179.2°	179.7°
C1	C8	C7	H6	179.8°	179.7°
C3	C2	C1	H1	180.0°	180.0°
C3	C2	C1	O	179.8°	180.0°
C1	C2	C3	H2	179.7°	179.9°
C2	C1	C8	H7	179.3°	180.0°
O	C1	C2	H1	0.2°	0.0°
O	C1	C8	H7	0.2°	0.3°
C1	O	C	H8	180.0°	60.0°
C1	O	C	H9	60.0°	60.0°
C1	O	C	H10	60.0°	180.0°
H1	C2	C3	H2	0.3°	0.1°
H3	C6	H4	H5	120.0°	120.1°
H6	C7	C8	H7	0.2°	0.3°
H8	C	H9	H10	120.0°	120.1°

222415

PDB entries from 2024-07-10

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