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Summary Geometry Related PDB entries

FTV

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
CL1	C4	sing	1.74Å	1.78Å
C3	C1	sing	1.53Å	1.52Å
O1	C1	sing	1.43Å	1.43Å
O1	C2	sing	1.36Å	1.38Å
O2	C6	doub	1.21Å	1.25Å
C4	C2	doub	1.39Å	1.36Å	Aromatic
C4	C7	sing	1.38Å	1.37Å	Aromatic
C6	C1	sing	1.51Å	1.52Å
C6	O3	sing	1.34Å	1.26Å
C2	C5	sing	1.39Å	1.40Å	Aromatic
C7	C9	doub	1.38Å	1.38Å	Aromatic
C5	C8	doub	1.38Å	1.39Å	Aromatic
C9	C8	sing	1.38Å	1.40Å	Aromatic
C9	CL2	sing	1.74Å	1.80Å
C7	H1	sing	1.08Å	1.08Å
C8	H2	sing	1.08Å	1.08Å
C5	H3	sing	1.08Å	1.08Å
C1	H4	sing	1.09Å	1.10Å
C3	H5	sing	1.09Å	1.10Å
C3	H6	sing	1.09Å	1.10Å
C3	H7	sing	1.09Å	1.10Å
O3	H8	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
CL1	C4	C2	118.1°	120.1°
CL1	C4	C7	118.6°	120.0°
C3	C1	O1	107.1°	109.4°
C3	C1	C6	114.6°	109.5°
C3	C1	H4	108.4°	109.5°
C1	C3	H5	109.5°	109.5°
C1	C3	H6	109.5°	109.5°
C1	C3	H7	109.5°	109.4°
C1	O1	C2	118.1°	117.0°
O1	C1	C6	108.7°	109.5°
O1	C1	H4	109.6°	109.4°
O1	C2	C4	117.4°	120.0°
O1	C2	C5	122.4°	120.1°
O2	C6	C1	118.1°	120.0°
O2	C6	O3	120.8°	120.0°
C2	C4	C7	123.1°	119.9°
C4	C2	C5	120.2°	119.9°
C4	C7	C9	116.1°	120.0°
C4	C7	H1	122.0°	120.0°
C1	C6	O3	121.0°	120.0°
C6	C1	H4	108.4°	109.5°
C6	O3	H8	109.5°	117.0°
C2	C5	C8	118.7°	120.0°
C2	C5	H3	120.6°	120.0°
C7	C9	C8	123.0°	120.1°
C7	C9	CL2	116.1°	120.0°
C9	C7	H1	121.9°	120.0°
C5	C8	C9	118.6°	120.0°
C5	C8	H2	120.7°	120.0°
C8	C5	H3	120.7°	120.0°
C8	C9	CL2	120.8°	119.9°
C9	C8	H2	120.7°	120.0°
H5	C3	H6	109.5°	109.5°
H5	C3	H7	109.5°	109.5°
H6	C3	H7	109.4°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
CL1	C4	C2	O1	1.2°	0.1°
CL1	C4	C2	C7	176.3°	179.8°
CL1	C4	C2	C5	179.8°	179.7°
CL1	C4	C7	C9	177.5°	179.9°
CL1	C4	C7	H1	2.5°	0.0°
C3	C1	O1	C6	124.4°	120.0°
C3	C1	O1	H4	117.3°	120.0°
C3	C1	O1	C2	132.8°	85.0°
C3	C1	C6	O2	9.4°	115.0°
C3	C1	C6	H4	121.2°	120.1°
C3	C1	C6	O3	173.2°	65.0°
C1	C3	H5	H6	120.0°	120.1°
C1	C3	H5	H7	120.0°	119.9°
C1	C3	H6	H7	120.0°	119.9°
O1	C1	C6	O2	129.1°	4.9°
C1	O1	C2	C4	154.9°	174.8°
O1	C1	C6	H4	119.1°	120.0°
O1	C1	C6	O3	53.5°	175.0°
C1	O1	C2	C5	26.1°	5.5°
O1	C1	C3	H5	180.0°	60.0°
O1	C1	C3	H6	60.0°	60.0°
O1	C1	C3	H7	60.0°	180.0°
O1	C2	C4	C5	179.1°	179.8°
O1	C2	C4	C7	177.5°	179.7°
C2	O1	C1	C6	102.8°	155.0°
O1	C2	C5	C8	179.4°	179.7°
O1	C2	C5	H3	0.6°	0.0°
C2	O1	C1	H4	15.5°	35.0°
O2	C6	C1	O3	177.4°	179.9°
O2	C6	C1	H4	111.8°	124.9°
O2	C6	O3	H8	0.0°	0.0°
C2	C4	C7	C9	6.2°	0.3°
C4	C2	C5	C8	0.4°	0.5°
C2	C4	C7	H1	173.8°	179.8°
C4	C2	C5	H3	179.6°	179.7°
C7	C4	C2	C5	3.4°	0.5°
C4	C7	C9	H1	180.0°	179.9°
C4	C7	C9	C8	6.3°	0.0°
C4	C7	C9	CL2	177.9°	180.0°
C6	C1	C3	H5	59.3°	59.9°
C6	C1	C3	H6	60.7°	180.0°
C6	C1	C3	H7	179.3°	60.1°
C1	C6	O3	H8	177.3°	179.9°
O3	C6	C1	H4	65.6°	55.0°
C2	C5	C8	H3	180.0°	179.7°
C2	C5	C8	C9	0.5°	0.3°
C2	C5	C8	H2	179.5°	179.7°
C7	C9	C8	C5	3.6°	0.0°
C7	C9	C8	CL2	175.6°	179.9°
C7	C9	C8	H2	176.3°	179.9°
C5	C8	C9	H2	180.0°	180.0°
C5	C8	C9	CL2	179.2°	180.0°
C8	C9	C7	H1	173.7°	180.0°
C9	C8	C5	H3	179.5°	180.0°
CL2	C9	C7	H1	2.1°	0.1°
CL2	C9	C8	H2	0.8°	0.0°
H2	C8	C5	H3	0.5°	0.0°
H4	C1	C3	H5	61.9°	NaN°
H4	C1	C3	H6	178.1°	59.9°
H4	C1	C3	H7	58.1°	60.0°
H5	C3	H6	H7	120.0°	120.0°

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