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Summary Geometry Related PDB entries

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Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C7	C2	sing	1.51Å	1.49Å
C3	C2	doub	1.38Å	1.36Å	Aromatic
C3	C4	sing	1.38Å	1.41Å	Aromatic
C2	C1	sing	1.39Å	1.34Å	Aromatic
C4	C5	doub	1.40Å	1.44Å	Aromatic
C1	O1	sing	1.36Å	1.36Å
C1	C6	doub	1.39Å	1.40Å	Aromatic
C5	C6	sing	1.39Å	1.42Å	Aromatic
C5	C8	sing	1.48Å	1.51Å
C10	C8	sing	1.51Å	1.49Å
C8	C9	doub	1.33Å	1.36Å
C4	H1	sing	1.08Å	1.08Å
C6	H2	sing	1.08Å	1.08Å
C7	H3	sing	1.09Å	1.10Å
C7	H4	sing	1.09Å	1.10Å
C7	H5	sing	1.09Å	1.10Å
C9	H6	sing	1.08Å	1.08Å
C9	H7	sing	1.08Å	1.08Å
C10	H8	sing	1.09Å	1.10Å
C10	H9	sing	1.09Å	1.10Å
C10	H10	sing	1.09Å	1.10Å
C3	H11	sing	1.08Å	1.08Å
O1	H12	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C7	C2	C3	123.6°	119.9°
C7	C2	C1	117.5°	119.9°
C2	C7	H3	109.5°	109.5°
C2	C7	H4	109.4°	109.5°
C2	C7	H5	109.5°	109.5°
C2	C3	C4	121.9°	120.2°
C3	C2	C1	118.9°	120.2°
C2	C3	H11	119.1°	119.9°
C3	C4	C5	121.1°	120.0°
C3	C4	H1	119.5°	120.0°
C4	C3	H11	119.0°	119.9°
C2	C1	O1	119.9°	120.0°
C2	C1	C6	121.9°	120.0°
C4	C5	C6	113.5°	119.7°
C4	C5	C8	125.9°	120.2°
C5	C4	H1	119.4°	120.0°
O1	C1	C6	118.2°	120.0°
C1	O1	H12	109.5°	114.0°
C1	C6	C5	122.7°	119.8°
C1	C6	H2	118.6°	120.1°
C6	C5	C8	120.6°	120.1°
C5	C6	H2	118.6°	120.1°
C5	C8	C10	122.7°	120.0°
C5	C8	C9	118.8°	120.0°
C10	C8	C9	117.5°	120.0°
C8	C10	H8	109.5°	109.5°
C8	C10	H9	109.4°	109.4°
C8	C10	H10	109.5°	109.5°
C8	C9	H6	120.0°	120.0°
C8	C9	H7	120.0°	120.0°
H3	C7	H4	109.5°	109.5°
H3	C7	H5	109.5°	109.4°
H4	C7	H5	109.5°	109.4°
H6	C9	H7	120.0°	120.0°
H8	C10	H9	109.5°	109.5°
H8	C10	H10	109.5°	109.4°
H9	C10	H10	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C7	C2	C3	C1	179.6°	179.5°
C7	C2	C3	C4	180.0°	180.0°
C7	C2	C1	O1	1.6°	0.3°
C7	C2	C1	C6	179.5°	179.7°
C2	C7	H3	H4	120.0°	120.1°
C2	C7	H3	H5	120.0°	120.0°
C2	C7	H4	H5	120.0°	120.0°
C7	C2	C3	H11	0.0°	0.5°
C2	C3	C4	H11	180.0°	179.4°
C2	C3	C4	C5	0.1°	0.0°
C3	C2	C1	O1	178.1°	179.7°
C3	C2	C1	C6	0.1°	0.8°
C2	C3	C4	H1	179.9°	179.7°
C3	C2	C7	H3	89.8°	90.0°
C3	C2	C7	H4	150.2°	150.0°
C3	C2	C7	H5	30.2°	30.0°
C4	C3	C2	C1	0.4°	0.5°
C3	C4	C5	H1	180.0°	179.7°
C3	C4	C5	C6	0.7°	0.3°
C3	C4	C5	C8	179.7°	179.8°
C2	C1	O1	C6	178.0°	179.5°
C2	C1	C6	C5	1.0°	0.5°
C2	C1	C6	H2	179.0°	179.5°
C1	C2	C7	H3	89.8°	89.5°
C1	C2	C7	H4	30.2°	30.5°
C1	C2	C7	H5	150.2°	150.5°
C1	C2	C3	H11	179.6°	180.0°
C2	C1	O1	H12	180.0°	89.5°
C4	C5	C6	C1	1.2°	0.0°
C4	C5	C6	C8	179.0°	180.0°
C4	C5	C8	C10	5.8°	65.0°
C4	C5	C8	C9	162.7°	115.0°
C4	C5	C6	H2	178.8°	180.0°
C5	C4	C3	H11	179.9°	179.5°
O1	C1	C6	C5	179.0°	180.0°
O1	C1	C6	H2	1.0°	0.0°
C1	C6	C5	H2	180.0°	180.0°
C1	C6	C5	C8	179.8°	180.0°
C6	C1	O1	H12	2.0°	89.9°
C6	C5	C8	C10	173.1°	115.0°
C6	C5	C8	C9	18.4°	65.0°
C6	C5	C4	H1	179.3°	179.9°
C5	C8	C10	C9	168.6°	180.0°
C8	C5	C4	H1	0.3°	0.1°
C8	C5	C6	H2	0.2°	0.0°
C5	C8	C9	H6	169.1°	0.0°
C5	C8	C9	H7	10.9°	180.0°
C5	C8	C10	H8	180.0°	90.0°
C5	C8	C10	H9	60.0°	150.0°
C5	C8	C10	H10	60.0°	30.0°
C10	C8	C9	H6	0.0°	180.0°
C10	C8	C9	H7	180.0°	0.0°
C8	C10	H8	H9	120.0°	120.0°
C8	C10	H8	H10	120.0°	120.0°
C8	C10	H9	H10	120.0°	120.0°
C8	C9	H6	H7	180.0°	180.0°
C9	C8	C10	H8	11.4°	90.0°
C9	C8	C10	H9	131.4°	30.0°
C9	C8	C10	H10	108.6°	150.0°
H1	C4	C3	H11	0.1°	0.2°
H3	C7	H4	H5	120.0°	119.9°
H8	C10	H9	H10	120.0°	120.0°

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