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Summary Geometry Related PDB entries

4FA

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	doub	1.38Å	1.39Å	Aromatic
C1	C3	sing	1.38Å	1.39Å	Aromatic
C1	C4	sing	1.51Å	1.47Å
C2	C5	sing	1.38Å	1.39Å	Aromatic
C2	HC2	sing	1.08Å	1.10Å
C3	C6	doub	1.38Å	1.40Å	Aromatic
C3	HC3	sing	1.08Å	1.10Å
C4	C13	sing	1.53Å	1.48Å
C4	HC41	sing	1.09Å	1.11Å
C4	HC42	sing	1.09Å	1.12Å
C5	C7	doub	1.38Å	1.39Å	Aromatic
C5	HC5	sing	1.08Å	1.10Å
C6	C7	sing	1.38Å	1.39Å	Aromatic
C6	HC6	sing	1.08Å	1.10Å
C7	F8	sing	1.35Å	1.34Å
C13	O14	sing	1.43Å	1.41Å
C13	H131	sing	1.09Å	1.11Å
C13	H132	sing	1.09Å	1.11Å
O14	H14	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	C3	121.9°	120.2°
C2	C1	C4	117.1°	120.0°
C1	C2	C5	118.9°	120.0°
C1	C2	HC2	120.4°	120.1°
C3	C1	C4	121.0°	119.9°
C1	C3	C6	118.7°	119.9°
C1	C3	HC3	120.5°	120.1°
C1	C4	C13	109.5°	109.5°
C1	C4	HC41	112.2°	109.5°
C1	C4	HC42	112.2°	109.5°
C5	C2	HC2	120.7°	120.0°
C2	C5	C7	120.1°	120.0°
C2	C5	HC5	119.9°	119.9°
C6	C3	HC3	120.8°	120.0°
C3	C6	C7	120.0°	120.0°
C3	C6	HC6	120.2°	120.0°
C13	C4	HC41	112.2°	109.5°
C13	C4	HC42	112.2°	109.4°
C4	C13	O14	102.4°	109.5°
C4	C13	H131	114.9°	109.5°
C4	C13	H132	114.9°	109.4°
HC41	C4	HC42	98.2°	109.5°
C7	C5	HC5	120.0°	120.1°
C5	C7	C6	120.4°	120.0°
C5	C7	F8	120.8°	120.0°
C7	C6	HC6	119.8°	120.0°
C6	C7	F8	118.8°	120.0°
O14	C13	H131	114.9°	109.5°
O14	C13	H132	114.9°	109.5°
C13	O14	H14	102.4°	106.9°
H131	C13	H132	95.6°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	C3	C4	179.9°	179.7°
C1	C2	C5	HC2	180.0°	180.0°
C2	C1	C3	C6	0.4°	0.5°
C2	C1	C3	HC3	179.6°	179.9°
C2	C1	C4	C13	35.2°	90.1°
C2	C1	C4	HC41	160.5°	30.0°
C2	C1	C4	HC42	90.0°	150.0°
C1	C2	C5	C7	0.9°	0.1°
C1	C2	C5	HC5	179.1°	180.0°
C3	C1	C2	C5	0.7°	0.3°
C3	C1	C2	HC2	179.3°	179.7°
C1	C3	C6	HC3	180.0°	179.6°
C3	C1	C4	C13	144.9°	90.2°
C3	C1	C4	HC41	19.6°	149.7°
C3	C1	C4	HC42	89.9°	29.7°
C1	C3	C6	C7	0.2°	0.5°
C1	C3	C6	HC6	179.9°	179.8°
C4	C1	C2	C5	179.1°	180.0°
C4	C1	C2	HC2	0.8°	0.0°
C4	C1	C3	C6	179.5°	179.8°
C4	C1	C3	HC3	0.5°	0.2°
C1	C4	C13	HC41	125.3°	120.0°
C1	C4	C13	HC42	125.2°	120.0°
C1	C4	HC41	HC42	118.1°	120.0°
C1	C4	C13	O14	163.9°	180.0°
C1	C4	C13	H131	70.9°	59.9°
C1	C4	C13	H132	38.6°	60.0°
C2	C5	C7	HC5	180.0°	179.9°
C2	C5	C7	C6	0.7°	0.1°
C2	C5	C7	F8	179.8°	180.0°
HC2	C2	C5	C7	179.1°	179.9°
HC2	C2	C5	HC5	0.9°	0.0°
C3	C6	C7	C5	0.3°	0.3°
C3	C6	C7	HC6	180.0°	179.7°
C3	C6	C7	F8	179.5°	179.8°
HC3	C3	C6	C7	179.8°	179.9°
HC3	C3	C6	HC6	0.2°	0.2°
C13	C4	HC41	HC42	118.1°	120.0°
C4	C13	O14	H131	125.3°	120.1°
C4	C13	O14	H132	125.3°	119.9°
C4	C13	H131	H132	120.8°	119.9°
C4	C13	O14	H14	180.0°	180.0°
HC41	C4	C13	O14	38.6°	59.9°
HC41	C4	C13	H131	163.8°	180.0°
HC41	C4	C13	H132	86.7°	60.0°
HC42	C4	C13	O14	70.9°	60.1°
HC42	C4	C13	H131	54.4°	60.0°
HC42	C4	C13	H132	163.9°	180.0°
C5	C7	C6	F8	179.1°	180.0°
C5	C7	C6	HC6	179.7°	180.0°
HC5	C5	C7	C6	179.3°	180.0°
HC5	C5	C7	F8	0.2°	0.1°
HC6	C6	C7	F8	0.5°	0.0°
O14	C13	H131	H132	120.8°	120.0°
H131	C13	O14	H14	54.7°	60.0°
H132	C13	O14	H14	54.8°	60.1°

222624

PDB entries from 2024-07-17

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