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Summary Geometry Related PDB entries

SMN

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	doub	1.38Å	1.40Å	Aromatic
C1	C6	sing	1.38Å	1.37Å	Aromatic
C1	C7	sing	1.51Å	1.55Å
C2	C3	sing	1.38Å	1.39Å	Aromatic
C2	H2	sing	1.08Å	1.10Å
C3	C4	doub	1.38Å	1.37Å	Aromatic
C3	H3	sing	1.08Å	1.10Å
C4	C5	sing	1.38Å	1.38Å	Aromatic
C4	H4	sing	1.08Å	1.10Å
C5	C6	doub	1.38Å	1.41Å	Aromatic
C5	H5	sing	1.08Å	1.10Å
C6	H6	sing	1.08Å	1.10Å
C7	C10	sing	1.51Å	1.55Å
C7	O8	sing	1.43Å	1.45Å
C7	H7	sing	1.09Å	1.12Å
C10	O11	doub	1.21Å	1.22Å
C10	O12	sing	1.34Å	1.22Å
O8	HO8	sing	0.97Å	0.95Å
O12	HO2	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	C6	118.7°	120.0°
C2	C1	C7	121.2°	120.0°
C1	C2	C3	122.3°	120.0°
C1	C2	H2	119.3°	120.0°
C6	C1	C7	119.9°	120.0°
C1	C6	C5	119.0°	120.0°
C1	C6	H6	119.1°	120.0°
C1	C7	C10	113.6°	109.5°
C1	C7	O8	108.1°	109.5°
C1	C7	H7	108.2°	109.5°
C3	C2	H2	118.5°	120.0°
C2	C3	C4	118.6°	120.0°
C2	C3	H3	121.2°	120.0°
C4	C3	H3	120.2°	120.0°
C3	C4	C5	120.0°	120.0°
C3	C4	H4	119.7°	120.0°
C5	C4	H4	120.4°	120.0°
C4	C5	C6	121.2°	120.0°
C4	C5	H5	118.5°	120.0°
C6	C5	H5	120.4°	120.0°
C5	C6	H6	121.9°	120.0°
C10	C7	O8	111.2°	109.4°
C10	C7	H7	105.0°	109.5°
C7	C10	O11	118.3°	120.1°
C7	C10	O12	121.5°	119.9°
O8	C7	H7	110.7°	109.4°
C7	O8	HO8	108.2°	106.8°
O11	C10	O12	120.2°	119.9°
C10	O12	HO2	121.5°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	C6	C7	175.3°	179.8°
C1	C2	C3	H2	180.0°	180.0°
C1	C2	C3	C4	4.8°	0.0°
C1	C2	C3	H3	175.2°	180.0°
C2	C1	C6	C5	3.3°	0.4°
C2	C1	C6	H6	176.7°	180.0°
C2	C1	C7	C10	58.9°	90.0°
C2	C1	C7	O8	177.2°	30.0°
C2	C1	C7	H7	57.3°	149.9°
C6	C1	C2	C3	0.6°	0.2°
C6	C1	C2	H2	179.4°	179.8°
C1	C6	C5	C4	3.2°	0.4°
C1	C6	C5	H6	180.0°	179.6°
C1	C6	C5	H5	176.8°	179.7°
C6	C1	C7	C10	125.9°	89.8°
C6	C1	C7	O8	2.0°	150.2°
C6	C1	C7	H7	117.9°	30.3°
C7	C1	C2	C3	174.6°	180.0°
C7	C1	C2	H2	5.4°	0.0°
C7	C1	C6	C5	178.7°	179.8°
C7	C1	C6	H6	1.3°	0.2°
C1	C7	C10	O8	122.2°	120.0°
C1	C7	C10	H7	118.1°	120.1°
C1	C7	O8	H7	118.4°	120.0°
C1	C7	C10	O11	129.4°	120.0°
C1	C7	C10	O12	51.6°	60.0°
C1	C7	O8	HO8	180.0°	60.0°
C2	C3	C4	H3	180.0°	180.0°
C2	C3	C4	C5	4.9°	0.1°
C2	C3	C4	H4	175.1°	179.9°
H2	C2	C3	C4	175.2°	180.0°
H2	C2	C3	H3	4.8°	0.0°
C3	C4	C5	H4	180.0°	180.0°
C3	C4	C5	C6	1.0°	0.1°
C3	C4	C5	H5	179.0°	180.0°
H3	C3	C4	C5	175.1°	179.9°
H3	C3	C4	H4	4.8°	0.0°
C4	C5	C6	H5	180.0°	179.9°
C4	C5	C6	H6	176.8°	179.9°
H4	C4	C5	C6	179.0°	179.9°
H4	C4	C5	H5	1.0°	0.1°
H5	C5	C6	H6	3.2°	0.1°
C10	C7	O8	H7	116.3°	120.0°
C7	C10	O11	O12	179.1°	180.0°
C10	C7	O8	HO8	54.7°	60.0°
C7	C10	O12	HO2	180.0°	180.0°
O8	C7	C10	O11	7.2°	0.0°
O8	C7	C10	O12	173.8°	180.0°
H7	C7	C10	O11	112.6°	119.9°
H7	C7	C10	O12	66.5°	60.1°
H7	C7	O8	HO8	61.6°	180.0°
O11	C10	O12	HO2	1.0°	0.1°

224572

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