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Summary Geometry Related PDB entries

Obsolete: SAA

SAA was replaced with APG on

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	doub	1.38Å	1.39Å	Aromatic
C1	C6	sing	1.38Å	1.39Å	Aromatic
C1	C7	sing	1.51Å	1.54Å
C2	C3	sing	1.38Å	1.39Å	Aromatic
C2	H2	sing	1.08Å	1.10Å
C3	C4	doub	1.38Å	1.39Å	Aromatic
C3	H3	sing	1.08Å	1.10Å
C4	C5	sing	1.38Å	1.39Å	Aromatic
C4	H4	sing	1.08Å	1.10Å
C5	C6	doub	1.38Å	1.39Å	Aromatic
C5	H5	sing	1.08Å	1.10Å
C6	H6	sing	1.08Å	1.10Å
C7	O8	sing	1.43Å	1.45Å
C7	C9	sing	1.53Å	1.54Å
C7	C10	sing	1.51Å	1.54Å
O8	HO8	sing	0.97Å	0.95Å
C9	H91	sing	1.09Å	1.12Å
C9	H92	sing	1.09Å	1.12Å
C9	H93	sing	1.09Å	1.11Å
C10	O1	doub	1.21Å	1.20Å
C10	O2	sing	1.34Å	1.20Å
O2	HO2	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	C6	120.1°	120.0°
C2	C1	C7	119.9°	120.0°
C1	C2	C3	119.8°	120.0°
C1	C2	H2	120.1°	120.0°
C6	C1	C7	120.0°	120.0°
C1	C6	C5	120.0°	120.0°
C1	C6	H6	120.0°	120.0°
C1	C7	O8	105.6°	109.5°
C1	C7	C9	110.0°	109.5°
C1	C7	C10	114.2°	109.5°
C3	C2	H2	120.1°	120.0°
C2	C3	C4	120.1°	120.0°
C2	C3	H3	119.9°	120.0°
C4	C3	H3	119.9°	120.0°
C3	C4	C5	120.0°	120.0°
C3	C4	H4	120.1°	120.0°
C5	C4	H4	119.9°	120.0°
C4	C5	C6	120.0°	120.0°
C4	C5	H5	119.9°	120.0°
C6	C5	H5	120.0°	120.0°
C5	C6	H6	120.0°	120.0°
O8	C7	C9	105.5°	109.4°
O8	C7	C10	112.1°	109.4°
C7	O8	HO8	105.7°	106.8°
C9	C7	C10	109.0°	109.5°
C7	C9	H91	110.0°	109.4°
C7	C9	H92	112.0°	109.5°
C7	C9	H93	112.0°	109.5°
C7	C10	O1	121.3°	120.1°
C7	C10	O2	123.2°	120.0°
H91	C9	H92	112.0°	109.5°
H91	C9	H93	112.0°	109.4°
H92	C9	H93	98.4°	109.4°
O1	C10	O2	115.5°	119.9°
C10	O2	HO2	123.1°	120.1°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	C6	C7	179.1°	179.8°
C1	C2	C3	H2	180.0°	179.9°
C1	C2	C3	C4	0.6°	0.0°
C1	C2	C3	H3	179.4°	180.0°
C2	C1	C6	C5	0.7°	0.4°
C2	C1	C6	H6	179.3°	180.0°
C2	C1	C7	O8	170.3°	29.9°
C2	C1	C7	C9	76.3°	149.9°
C2	C1	C7	C10	46.6°	90.0°
C6	C1	C2	C3	0.9°	0.2°
C6	C1	C2	H2	179.0°	179.7°
C1	C6	C5	C4	0.1°	0.4°
C1	C6	C5	H6	180.0°	179.5°
C1	C6	C5	H5	179.9°	179.7°
C6	C1	C7	O8	8.8°	150.3°
C6	C1	C7	C9	104.6°	30.3°
C6	C1	C7	C10	132.4°	89.8°
C7	C1	C2	C3	180.0°	180.0°
C7	C1	C2	H2	0.0°	0.1°
C7	C1	C6	C5	179.7°	179.8°
C7	C1	C6	H6	0.3°	0.2°
C1	C7	O8	C9	116.5°	120.0°
C1	C7	O8	C10	125.0°	120.0°
C1	C7	C9	C10	126.0°	120.0°
C1	C7	O8	HO8	180.0°	60.0°
C1	C7	C9	H91	180.0°	60.0°
C1	C7	C9	H92	54.8°	180.0°
C1	C7	C9	H93	54.7°	60.0°
C1	C7	C10	O1	170.7°	120.0°
C1	C7	C10	O2	10.1°	60.1°
C2	C3	C4	H3	180.0°	180.0°
C2	C3	C4	C5	0.0°	0.1°
C2	C3	C4	H4	180.0°	180.0°
H2	C2	C3	C4	179.4°	180.0°
H2	C2	C3	H3	0.6°	0.0°
C3	C4	C5	H4	180.0°	179.9°
C3	C4	C5	C6	0.3°	0.1°
C3	C4	C5	H5	179.7°	180.0°
H3	C3	C4	C5	180.0°	179.9°
H3	C3	C4	H4	0.0°	0.0°
C4	C5	C6	H5	180.0°	179.9°
C4	C5	C6	H6	179.9°	179.9°
H4	C4	C5	C6	179.7°	179.8°
H4	C4	C5	H5	0.2°	0.1°
H5	C5	C6	H6	0.1°	0.2°
O8	C7	C9	C10	120.5°	119.9°
O8	C7	C9	H91	66.5°	180.0°
O8	C7	C9	H92	58.7°	60.0°
O8	C7	C9	H93	168.2°	60.1°
O8	C7	C10	O1	50.6°	0.0°
O8	C7	C10	O2	130.2°	180.0°
C9	C7	O8	HO8	63.4°	180.0°
C7	C9	H91	H92	125.2°	120.1°
C7	C9	H91	H93	125.3°	120.0°
C7	C9	H92	H93	117.9°	120.1°
C9	C7	C10	O1	65.8°	119.9°
C9	C7	C10	O2	113.4°	60.0°
C10	C7	O8	HO8	55.0°	60.0°
C10	C7	C9	H91	54.1°	60.1°
C10	C7	C9	H92	179.3°	60.0°
C10	C7	C9	H93	71.2°	180.0°
C7	C10	O1	O2	179.3°	179.9°
C7	C10	O2	HO2	180.0°	180.0°
H91	C9	H92	H93	118.0°	119.9°
O1	C10	O2	HO2	0.8°	0.1°

246704

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