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Summary Geometry Related PDB entries

7QE

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O3	N1	sing	1.42Å	1.40Å
F3	C3	sing	1.40Å	1.32Å
N1	C2	doub	1.29Å	1.31Å
F1	C3	sing	1.40Å	1.34Å
C3	C2	sing	1.51Å	1.52Å
C3	F2	sing	1.40Å	1.34Å
C2	C1	sing	1.47Å	1.32Å
C1	O1	doub	1.21Å	1.25Å
C1	O2	sing	1.35Å	1.26Å
O2	H1	sing	0.97Å	0.95Å
O3	H31	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O3	N1	C2	124.5°	120.0°
N1	O3	H31	109.5°	114.0°
F3	C3	F1	107.9°	109.5°
F3	C3	C2	112.4°	109.5°
F3	C3	F2	102.1°	109.5°
N1	C2	C3	132.8°	120.0°
N1	C2	C1	107.9°	120.0°
F1	C3	C2	112.6°	109.4°
F1	C3	F2	106.8°	109.5°
C2	C3	F2	114.3°	109.5°
C3	C2	C1	119.2°	120.0°
C2	C1	O1	114.2°	120.0°
C2	C1	O2	119.0°	120.0°
O1	C1	O2	126.8°	120.0°
C1	O2	H1	109.5°	117.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O3	N1	C2	C3	1.4°	0.3°
O3	N1	C2	C1	179.6°	180.0°
F3	C3	C2	N1	28.6°	120.3°
F3	C3	F1	C2	124.7°	120.0°
F3	C3	F1	F2	109.1°	120.0°
F3	C3	C2	F2	115.8°	120.1°
F3	C3	C2	C1	153.4°	59.9°
N1	C2	C3	F1	93.5°	119.7°
N1	C2	C3	C1	178.0°	179.8°
N1	C2	C3	F2	144.4°	0.2°
N1	C2	C1	O1	66.1°	180.0°
N1	C2	C1	O2	113.8°	0.0°
C2	N1	O3	H31	180.0°	180.0°
F1	C3	C2	F2	122.0°	120.0°
F1	C3	C2	C1	84.5°	60.0°
C3	C2	C1	O1	112.3°	0.2°
C3	C2	C1	O2	67.7°	179.8°
F2	C3	C2	C1	37.6°	180.0°
C2	C1	O1	O2	180.0°	180.0°
C2	C1	O2	H1	179.9°	180.0°
O1	C1	O2	H1	0.0°	0.0°

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PDB entries from 2024-07-10

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