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Summary Geometry Related PDB entries

61N

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C7	C8	doub	1.36Å	1.40Å	Aromatic
C7	C9	sing	1.39Å	1.40Å	Aromatic
C8	C1	sing	1.41Å	1.40Å	Aromatic
C9	C6	doub	1.39Å	1.39Å	Aromatic
C1	C2	doub	1.40Å	1.40Å	Aromatic
C1	C10	sing	1.42Å	1.40Å	Aromatic
C6	C10	sing	1.46Å	1.40Å	Aromatic
C6	C11	sing	1.47Å	1.51Å
C2	C3	sing	1.37Å	1.40Å	Aromatic
C10	C5	doub	1.40Å	1.39Å	Aromatic
O21	C11	doub	1.22Å	1.25Å
C11	O20	sing	1.35Å	1.25Å
C3	O2	sing	1.36Å	1.36Å
C3	C4	doub	1.40Å	1.39Å	Aromatic
C5	C4	sing	1.36Å	1.39Å	Aromatic
O20	H1	sing	0.97Å	0.95Å
C5	H2	sing	1.08Å	1.08Å
C4	H3	sing	1.08Å	1.08Å
O2	H4	sing	0.97Å	0.95Å
C2	H5	sing	1.08Å	1.08Å
C8	H6	sing	1.08Å	1.08Å
C7	H7	sing	1.08Å	1.08Å
C9	H8	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C8	C7	C9	119.7°	121.8°
C7	C8	C1	119.9°	120.7°
C7	C8	H6	120.0°	119.6°
C8	C7	H7	120.1°	119.1°
C7	C9	C6	120.3°	120.6°
C9	C7	H7	120.1°	119.1°
C7	C9	H8	119.8°	119.7°
C8	C1	C2	120.2°	121.3°
C8	C1	C10	119.7°	119.5°
C1	C8	H6	120.0°	119.7°
C9	C6	C10	118.9°	118.6°
C9	C6	C11	119.8°	120.7°
C6	C9	H8	119.9°	119.7°
C2	C1	C10	120.1°	119.2°
C1	C2	C3	119.4°	119.6°
C1	C2	H5	120.3°	120.1°
C1	C10	C6	119.9°	118.8°
C1	C10	C5	120.0°	119.7°
C10	C6	C11	121.2°	120.7°
C6	C10	C5	119.7°	121.5°
C6	C11	O21	119.5°	120.0°
C6	C11	O20	119.7°	120.0°
C2	C3	O2	121.2°	119.6°
C2	C3	C4	120.3°	120.9°
C3	C2	H5	120.3°	120.2°
C10	C5	C4	119.9°	119.7°
C10	C5	H2	120.1°	120.1°
O21	C11	O20	120.9°	120.0°
C11	O20	H1	109.5°	117.0°
O2	C3	C4	118.5°	119.6°
C3	O2	H4	109.5°	113.9°
C3	C4	C5	120.4°	120.8°
C3	C4	H3	119.8°	119.6°
C4	C5	H2	120.1°	120.1°
C5	C4	H3	119.8°	119.6°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C8	C7	C9	H7	180.0°	179.8°
C7	C8	C1	H6	180.0°	179.9°
C8	C7	C9	C6	7.0°	0.5°
C7	C8	C1	C2	179.7°	180.0°
C7	C8	C1	C10	0.2°	0.1°
C8	C7	C9	H8	173.0°	180.0°
C9	C7	C8	C1	0.0°	0.2°
C7	C9	C6	H8	180.0°	179.5°
C7	C9	C6	C10	14.0°	0.6°
C7	C9	C6	C11	166.6°	179.7°
C9	C7	C8	H6	180.0°	179.7°
C8	C1	C2	C10	179.5°	180.0°
C8	C1	C10	C6	7.3°	0.0°
C8	C1	C2	C3	179.9°	180.0°
C8	C1	C10	C5	179.5°	180.0°
C8	C1	C2	H5	0.1°	0.1°
C1	C8	C7	H7	180.0°	180.0°
C9	C6	C10	C1	14.2°	0.3°
C9	C6	C10	C11	179.3°	179.7°
C9	C6	C10	C5	172.6°	179.7°
C9	C6	C11	O21	66.0°	174.2°
C9	C6	C11	O20	113.8°	5.7°
C6	C9	C7	H7	173.0°	179.7°
C2	C1	C10	C6	173.2°	180.0°
C1	C2	C3	H5	180.0°	179.9°
C2	C1	C10	C5	0.0°	0.0°
C1	C2	C3	O2	179.7°	180.0°
C1	C2	C3	C4	0.5°	0.1°
C2	C1	C8	H6	0.3°	0.0°
C1	C10	C6	C5	173.2°	180.0°
C1	C10	C6	C11	166.5°	180.0°
C10	C1	C2	C3	0.3°	0.1°
C1	C10	C5	C4	0.2°	0.0°
C1	C10	C5	H2	179.8°	179.9°
C10	C1	C2	H5	179.7°	180.0°
C10	C1	C8	H6	179.8°	180.0°
C10	C6	C11	O21	113.3°	5.5°
C10	C6	C11	O20	66.9°	174.6°
C6	C10	C5	C4	173.0°	180.0°
C6	C10	C5	H2	7.0°	0.1°
C10	C6	C9	H8	166.0°	180.0°
C11	C6	C10	C5	6.7°	0.0°
C6	C11	O21	O20	179.9°	179.9°
C6	C11	O20	H1	179.9°	179.9°
C11	C6	C9	H8	13.3°	0.3°
C2	C3	O2	C4	179.7°	180.0°
C2	C3	C4	C5	0.4°	0.1°
C2	C3	C4	H3	179.7°	179.9°
C2	C3	O2	H4	180.0°	90.0°
C10	C5	C4	C3	0.0°	0.0°
C10	C5	C4	H2	180.0°	179.9°
C10	C5	C4	H3	180.0°	180.0°
O21	C11	O20	H1	0.0°	0.0°
O2	C3	C4	C5	179.9°	180.0°
O2	C3	C4	H3	0.1°	0.0°
O2	C3	C2	H5	0.2°	0.1°
C3	C4	C5	H3	180.0°	180.0°
C3	C4	C5	H2	180.0°	179.9°
C4	C3	O2	H4	0.3°	90.1°
C4	C3	C2	H5	179.5°	180.0°
H2	C5	C4	H3	0.0°	0.0°
H6	C8	C7	H7	0.0°	0.1°
H7	C7	C9	H8	7.0°	0.2°

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