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Summary Geometry Related PDB entries

OY7

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O3	C5	doub	1.21Å	1.23Å
C6	C5	sing	1.51Å	1.49Å
C5	C4	sing	1.48Å	1.49Å
C4	C3	doub	1.40Å	1.39Å	Aromatic
C4	C7	sing	1.40Å	1.39Å	Aromatic
C3	C2	sing	1.38Å	1.38Å	Aromatic
C7	C8	doub	1.38Å	1.39Å	Aromatic
C2	C1	doub	1.39Å	1.41Å	Aromatic
C8	C1	sing	1.39Å	1.40Å	Aromatic
C1	B1	sing	1.57Å	1.58Å
O1	B1	sing	1.42Å	1.36Å
B1	O2	sing	1.42Å	1.37Å
C6	H1	sing	1.09Å	1.10Å
C6	H2	sing	1.09Å	1.10Å
C6	H3	sing	1.09Å	1.10Å
C7	H4	sing	1.08Å	1.08Å
C8	H5	sing	1.08Å	1.08Å
O1	H6	sing	0.97Å	0.95Å
O2	H7	sing	0.97Å	0.95Å
C2	H8	sing	1.08Å	1.08Å
C3	H9	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O3	C5	C6	118.9°	120.0°
O3	C5	C4	120.3°	120.0°
C6	C5	C4	120.5°	120.0°
C5	C6	H1	109.5°	109.5°
C5	C6	H2	109.5°	109.5°
C5	C6	H3	109.5°	109.5°
C5	C4	C3	120.6°	120.0°
C5	C4	C7	121.4°	120.1°
C3	C4	C7	117.9°	119.9°
C4	C3	C2	121.0°	119.9°
C4	C3	H9	119.5°	120.1°
C4	C7	C8	121.0°	119.9°
C4	C7	H4	119.5°	120.0°
C3	C2	C1	122.0°	120.1°
C3	C2	H8	119.0°	120.0°
C2	C3	H9	119.5°	120.0°
C7	C8	C1	122.1°	120.1°
C8	C7	H4	119.5°	120.1°
C7	C8	H5	118.9°	120.0°
C2	C1	C8	115.8°	120.1°
C2	C1	B1	122.5°	120.0°
C1	C2	H8	119.0°	119.9°
C8	C1	B1	121.5°	119.9°
C1	C8	H5	118.9°	120.0°
C1	B1	O1	123.9°	120.0°
C1	B1	O2	118.5°	120.0°
O1	B1	O2	117.2°	120.0°
B1	O1	H6	109.5°	114.0°
B1	O2	H7	109.5°	114.0°
H1	C6	H2	109.5°	109.4°
H1	C6	H3	109.5°	109.5°
H2	C6	H3	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O3	C5	C6	C4	173.3°	180.0°
O3	C5	C4	C3	3.6°	0.0°
O3	C5	C4	C7	179.8°	179.7°
O3	C5	C6	H1	0.0°	120.0°
O3	C5	C6	H2	120.0°	0.1°
O3	C5	C6	H3	120.0°	120.0°
C6	C5	C4	C3	169.6°	180.0°
C6	C5	C4	C7	7.0°	0.3°
C5	C6	H1	H2	120.0°	120.0°
C5	C6	H1	H3	120.0°	120.0°
C5	C6	H2	H3	120.0°	120.0°
C5	C4	C3	C7	176.7°	179.7°
C5	C4	C3	C2	177.0°	179.7°
C5	C4	C7	C8	177.5°	179.7°
C4	C5	C6	H1	173.3°	60.0°
C4	C5	C6	H2	53.3°	179.9°
C4	C5	C6	H3	66.7°	60.0°
C5	C4	C7	H4	2.5°	0.4°
C5	C4	C3	H9	3.0°	0.2°
C4	C3	C2	H9	180.0°	179.9°
C3	C4	C7	C8	0.8°	0.0°
C4	C3	C2	C1	0.6°	0.0°
C3	C4	C7	H4	179.2°	179.9°
C4	C3	C2	H8	179.4°	179.9°
C7	C4	C3	C2	0.3°	0.0°
C4	C7	C8	H4	180.0°	179.9°
C4	C7	C8	C1	0.4°	0.0°
C4	C7	C8	H5	179.6°	180.0°
C7	C4	C3	H9	179.7°	179.9°
C3	C2	C1	H8	180.0°	180.0°
C3	C2	C1	C8	1.0°	0.0°
C3	C2	C1	B1	175.5°	180.0°
C7	C8	C1	C2	0.5°	0.0°
C7	C8	C1	H5	180.0°	180.0°
C7	C8	C1	B1	175.0°	180.0°
C2	C1	C8	B1	174.6°	180.0°
C2	C1	B1	O1	34.1°	180.0°
C2	C1	B1	O2	138.5°	0.0°
C2	C1	C8	H5	179.5°	180.0°
C1	C2	C3	H9	179.4°	180.0°
C8	C1	B1	O1	151.7°	0.0°
C8	C1	B1	O2	35.7°	180.0°
C1	C8	C7	H4	179.6°	179.9°
C8	C1	C2	H8	179.0°	179.9°
C1	B1	O1	O2	172.7°	180.0°
B1	C1	C8	H5	5.0°	0.0°
C1	B1	O1	H6	180.0°	180.0°
C1	B1	O2	H7	180.0°	0.0°
B1	C1	C2	H8	4.5°	0.0°
O1	B1	O2	H7	6.9°	180.0°
O2	B1	O1	H6	7.3°	0.0°
H1	C6	H2	H3	120.0°	120.0°
H4	C7	C8	H5	0.4°	0.1°
H8	C2	C3	H9	0.6°	0.0°

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