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Summary Geometry Related PDB entries

LT1

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C2	C1	sing	1.53Å	1.50Å
C1	CL1	sing	1.80Å	1.79Å
C1	H1	sing	1.09Å	1.10Å
C1	H1A	sing	1.09Å	1.10Å
C3	C2	sing	1.53Å	1.52Å
C2	H2	sing	1.09Å	1.10Å
C2	H2A	sing	1.09Å	1.10Å
C4	C3	sing	1.51Å	1.49Å
C3	H3	sing	1.09Å	1.10Å
C3	H3A	sing	1.09Å	1.10Å
C5	C4	doub	1.38Å	1.38Å	Aromatic
C4	C9	sing	1.38Å	1.39Å	Aromatic
C6	C5	sing	1.38Å	1.38Å	Aromatic
C5	H5	sing	1.08Å	1.08Å
C6	C7	doub	1.38Å	1.38Å	Aromatic
C6	H6	sing	1.08Å	1.08Å
C7	C8	sing	1.38Å	1.39Å	Aromatic
C7	H7	sing	1.08Å	1.08Å
C8	C9	doub	1.38Å	1.39Å	Aromatic
C8	H8	sing	1.08Å	1.08Å
C9	H9	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	CL1	105.8°	109.5°
C2	C1	H1	110.7°	109.5°
C2	C1	H1A	111.5°	109.5°
C1	C2	C3	108.4°	109.4°
C1	C2	H2	109.8°	109.5°
C1	C2	H2A	110.1°	109.5°
CL1	C1	H1	110.7°	109.5°
CL1	C1	H1A	111.5°	109.5°
H1	C1	H1A	106.6°	109.5°
C3	C2	H2	109.8°	109.4°
C3	C2	H2A	110.0°	109.5°
C2	C3	C4	104.4°	109.4°
C2	C3	H3	111.2°	109.4°
C2	C3	H3A	112.3°	109.5°
H2	C2	H2A	108.7°	109.5°
C4	C3	H3	111.2°	109.5°
C4	C3	H3A	112.3°	109.5°
C3	C4	C5	117.2°	120.0°
C3	C4	C9	121.4°	120.0°
H3	C3	H3A	105.6°	109.5°
C5	C4	C9	121.3°	120.0°
C4	C5	C6	119.4°	120.1°
C4	C5	H5	120.3°	119.9°
C4	C9	C8	118.6°	119.9°
C4	C9	H9	120.7°	120.0°
C6	C5	H5	120.3°	120.0°
C5	C6	C7	120.6°	120.0°
C5	C6	H6	119.7°	120.0°
C7	C6	H6	119.7°	120.0°
C6	C7	C8	119.8°	120.0°
C6	C7	H7	120.1°	120.0°
C8	C7	H7	120.1°	120.0°
C7	C8	C9	120.3°	120.0°
C7	C8	H8	119.9°	120.0°
C9	C8	H8	119.8°	120.0°
C8	C9	H9	120.7°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	CL1	H1	120.0°	120.0°
C2	C1	CL1	H1A	121.4°	120.0°
C2	C1	H1	H1A	121.5°	120.0°
C1	C2	C3	H2	120.0°	120.0°
C1	C2	C3	H2A	120.4°	120.0°
C1	C2	H2	H2A	120.5°	120.0°
C1	C2	C3	C4	176.9°	180.0°
C1	C2	C3	H3	63.1°	60.0°
C1	C2	C3	H3A	55.1°	60.0°
CL1	C1	H1	H1A	121.5°	120.0°
CL1	C1	C2	C3	179.8°	180.0°
CL1	C1	C2	H2	60.2°	60.0°
CL1	C1	C2	H2A	59.4°	60.0°
H1	C1	C2	C3	60.2°	60.0°
H1	C1	C2	H2	59.8°	60.0°
H1	C1	C2	H2A	179.4°	180.0°
H1A	C1	C2	C3	58.4°	60.0°
H1A	C1	C2	H2	178.4°	180.0°
H1A	C1	C2	H2A	62.0°	60.0°
C3	C2	H2	H2A	120.4°	120.0°
C2	C3	C4	H3	120.0°	119.9°
C2	C3	C4	H3A	121.9°	120.0°
C2	C3	H3	H3A	122.0°	120.0°
C2	C3	C4	C5	106.0°	89.8°
C2	C3	C4	C9	72.4°	90.0°
H2	C2	C3	C4	56.9°	60.0°
H2	C2	C3	H3	177.0°	180.0°
H2	C2	C3	H3A	64.9°	60.0°
H2A	C2	C3	C4	62.6°	60.0°
H2A	C2	C3	H3	57.4°	60.0°
H2A	C2	C3	H3A	175.5°	180.0°
C4	C3	H3	H3A	122.1°	120.0°
C3	C4	C5	C9	178.4°	179.7°
C3	C4	C5	C6	178.2°	180.0°
C3	C4	C5	H5	1.8°	0.0°
C3	C4	C9	C8	178.2°	179.7°
C3	C4	C9	H9	1.8°	0.0°
H3	C3	C4	C5	134.0°	150.3°
H3	C3	C4	C9	47.6°	30.0°
H3A	C3	C4	C5	15.9°	30.3°
H3A	C3	C4	C9	165.7°	150.0°
C4	C5	C6	H5	180.0°	180.0°
C4	C5	C6	C7	0.2°	0.0°
C4	C5	C6	H6	179.8°	179.9°
C5	C4	C9	C8	0.2°	0.5°
C5	C4	C9	H9	179.9°	179.7°
C9	C4	C5	C6	0.2°	0.3°
C9	C4	C5	H5	179.8°	179.7°
C4	C9	C8	C7	0.3°	0.5°
C4	C9	C8	H9	180.0°	179.7°
C4	C9	C8	H8	179.7°	179.7°
C5	C6	C7	H6	180.0°	179.9°
C5	C6	C7	C8	0.7°	0.0°
C5	C6	C7	H7	179.4°	180.0°
H5	C5	C6	C7	179.8°	180.0°
H5	C5	C6	H6	0.2°	0.1°
C6	C7	C8	H7	180.0°	180.0°
C6	C7	C8	C9	0.7°	0.2°
C6	C7	C8	H8	179.3°	180.0°
H6	C6	C7	C8	179.3°	180.0°
H6	C6	C7	H7	0.6°	0.0°
C7	C8	C9	H8	180.0°	179.8°
C7	C8	C9	H9	179.7°	179.8°
H7	C7	C8	C9	179.3°	179.8°
H7	C7	C8	H8	0.7°	0.0°
H8	C8	C9	H9	0.3°	0.0°

223532

PDB entries from 2024-08-07

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