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Summary Geometry Related PDB entries

8GB

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C8	CL	sing	1.80Å	1.80Å
C8	C6	sing	1.51Å	1.49Å
C5	C6	doub	1.38Å	1.39Å	Aromatic
C5	C4	sing	1.39Å	1.38Å	Aromatic
CL1	C4	sing	1.74Å	1.76Å
C6	C7	sing	1.39Å	1.40Å	Aromatic
C4	C3	doub	1.38Å	1.38Å	Aromatic
C7	O1	sing	1.36Å	1.36Å
C7	C2	doub	1.40Å	1.41Å	Aromatic
C3	C2	sing	1.40Å	1.40Å	Aromatic
C2	C1	sing	1.47Å	1.49Å
C1	O	doub	1.21Å	1.24Å
C1	C	sing	1.51Å	1.49Å
C5	H4	sing	1.08Å	1.08Å
C8	H6	sing	1.09Å	1.10Å
C8	H7	sing	1.09Å	1.10Å
C3	H3	sing	1.08Å	1.08Å
O1	H5	sing	0.97Å	0.95Å
C	H1	sing	1.09Å	1.10Å
C	H	sing	1.09Å	1.10Å
C	H2	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
CL	C8	C6	110.1°	109.4°
CL	C8	H6	109.3°	109.5°
CL	C8	H7	109.3°	109.5°
C8	C6	C5	118.8°	120.0°
C8	C6	C7	122.1°	119.9°
C6	C8	H6	109.4°	109.5°
C6	C8	H7	109.3°	109.4°
C6	C5	C4	120.4°	120.5°
C5	C6	C7	118.8°	120.2°
C6	C5	H4	119.8°	119.8°
C5	C4	CL1	119.2°	119.8°
C5	C4	C3	121.3°	120.3°
C4	C5	H4	119.8°	119.8°
CL1	C4	C3	119.5°	119.9°
C6	C7	O1	119.5°	120.2°
C6	C7	C2	120.7°	119.7°
C4	C3	C2	119.4°	119.9°
C4	C3	H3	120.3°	120.1°
O1	C7	C2	119.8°	120.1°
C7	O1	H5	109.5°	114.0°
C7	C2	C3	119.3°	119.5°
C7	C2	C1	119.5°	120.2°
C3	C2	C1	121.2°	120.2°
C2	C3	H3	120.3°	120.0°
C2	C1	O	120.9°	120.0°
C2	C1	C	119.1°	120.0°
O	C1	C	120.0°	120.0°
C1	C	H1	109.5°	109.5°
C1	C	H	109.4°	109.4°
C1	C	H2	109.5°	109.5°
H6	C8	H7	109.5°	109.5°
H1	C	H	109.5°	109.5°
H1	C	H2	109.4°	109.5°
H	C	H2	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
CL	C8	C6	H6	120.1°	120.0°
CL	C8	C6	H7	120.1°	120.0°
CL	C8	C6	C5	55.4°	90.0°
CL	C8	C6	C7	118.8°	90.0°
CL	C8	H6	H7	119.7°	120.1°
C8	C6	C5	C7	174.4°	179.9°
C8	C6	C5	C4	175.7°	179.9°
C8	C6	C7	O1	4.3°	0.1°
C8	C6	C7	C2	172.7°	179.9°
C8	C6	C5	H4	4.3°	0.0°
C6	C8	H6	H7	119.8°	120.0°
C6	C5	C4	H4	180.0°	179.9°
C6	C5	C4	CL1	177.8°	179.7°
C6	C5	C4	C3	1.9°	0.0°
C5	C6	C7	O1	178.5°	180.0°
C5	C6	C7	C2	1.4°	0.0°
C5	C6	C8	H6	175.5°	150.0°
C5	C6	C8	H7	64.7°	29.9°
C5	C4	CL1	C3	179.6°	179.8°
C4	C5	C6	C7	1.3°	0.0°
C5	C4	C3	C2	0.4°	0.0°
C5	C4	C3	H3	179.6°	180.0°
CL1	C4	C3	C2	179.9°	179.7°
CL1	C4	C5	H4	2.2°	0.2°
CL1	C4	C3	H3	0.1°	0.2°
C6	C7	O1	C2	177.1°	180.0°
C6	C7	C2	C3	3.7°	0.0°
C6	C7	C2	C1	174.2°	180.0°
C7	C6	C5	H4	178.7°	180.0°
C7	C6	C8	H6	1.3°	29.9°
C7	C6	C8	H7	121.1°	150.0°
C6	C7	O1	H5	177.6°	90.0°
C4	C3	C2	C7	3.2°	0.0°
C4	C3	C2	H3	180.0°	180.0°
C4	C3	C2	C1	174.7°	180.0°
C3	C4	C5	H4	178.1°	180.0°
O1	C7	C2	C3	179.2°	180.0°
O1	C7	C2	C1	2.8°	0.0°
C7	C2	C3	C1	177.9°	180.0°
C7	C2	C1	O	7.5°	0.0°
C7	C2	C1	C	175.1°	180.0°
C7	C2	C3	H3	176.8°	180.0°
C2	C7	O1	H5	0.5°	89.9°
C3	C2	C1	O	174.6°	180.0°
C3	C2	C1	C	2.8°	0.0°
C2	C1	O	C	177.4°	179.9°
C1	C2	C3	H3	5.3°	0.0°
C2	C1	C	H1	177.4°	0.0°
C2	C1	C	H	57.4°	120.0°
C2	C1	C	H2	62.6°	120.0°
O	C1	C	H1	0.0°	180.0°
O	C1	C	H	120.0°	60.0°
O	C1	C	H2	120.0°	59.9°
C1	C	H1	H	120.0°	120.0°
C1	C	H1	H2	120.0°	120.0°
C1	C	H	H2	120.0°	120.0°
H1	C	H	H2	120.0°	120.0°

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