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Summary Geometry Related PDB entries

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Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C	C1	sing	1.51Å	1.51Å
C6	C1	doub	1.38Å	1.38Å	Aromatic
C6	C5	sing	1.38Å	1.38Å	Aromatic
C1	C2	sing	1.38Å	1.39Å	Aromatic
C5	C4	doub	1.40Å	1.40Å	Aromatic
C2	C3	doub	1.38Å	1.38Å	Aromatic
C4	C3	sing	1.40Å	1.39Å	Aromatic
C4	C7	sing	1.47Å	1.46Å
C8	C7	doub	1.35Å	1.32Å
C8	C9	sing	1.46Å	1.49Å
O	C9	doub	1.22Å	1.26Å
C9	O1	sing	1.35Å	1.27Å
C5	H1	sing	1.08Å	1.08Å
C6	H2	sing	1.08Å	1.08Å
C7	H3	sing	1.08Å	1.08Å
C8	H4	sing	1.08Å	1.08Å
O1	H5	sing	0.97Å	0.95Å
C3	H6	sing	1.08Å	1.08Å
C2	H7	sing	1.08Å	1.08Å
C	H8	sing	1.09Å	1.10Å
C	H9	sing	1.09Å	1.10Å
C	H10	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C	C1	C6	121.3°	119.8°
C	C1	C2	121.2°	119.8°
C1	C	H8	109.5°	109.5°
C1	C	H9	109.4°	109.5°
C1	C	H10	109.5°	109.4°
C1	C6	C5	121.6°	120.2°
C6	C1	C2	117.5°	120.4°
C1	C6	H2	119.2°	119.9°
C6	C5	C4	121.0°	119.8°
C6	C5	H1	119.5°	120.1°
C5	C6	H2	119.2°	119.9°
C1	C2	C3	121.4°	120.1°
C1	C2	H7	119.3°	119.9°
C5	C4	C3	117.6°	119.7°
C5	C4	C7	119.1°	120.2°
C4	C5	H1	119.5°	120.1°
C2	C3	C4	120.9°	119.8°
C2	C3	H6	119.5°	120.1°
C3	C2	H7	119.3°	120.0°
C3	C4	C7	123.3°	120.1°
C4	C3	H6	119.5°	120.1°
C4	C7	C8	124.2°	120.0°
C4	C7	H3	117.8°	120.0°
C7	C8	C9	124.0°	120.0°
C8	C7	H3	117.9°	120.0°
C7	C8	H4	118.0°	120.0°
C8	C9	O	116.8°	120.0°
C8	C9	O1	118.8°	120.0°
C9	C8	H4	118.0°	120.0°
O	C9	O1	124.3°	120.0°
C9	O1	H5	109.5°	114.0°
H8	C	H9	109.5°	109.5°
H8	C	H10	109.4°	109.4°
H9	C	H10	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C	C1	C6	C2	179.0°	179.7°
C	C1	C6	C5	178.8°	180.0°
C	C1	C2	C3	178.3°	179.7°
C	C1	C6	H2	1.2°	0.0°
C	C1	C2	H7	1.7°	0.2°
C1	C	H8	H9	120.0°	120.0°
C1	C	H8	H10	120.0°	119.9°
C1	C	H9	H10	120.0°	120.0°
C1	C6	C5	H2	180.0°	180.0°
C1	C6	C5	C4	0.4°	0.0°
C6	C1	C2	C3	0.6°	0.6°
C1	C6	C5	H1	179.6°	180.0°
C6	C1	C2	H7	179.4°	180.0°
C6	C1	C	H8	90.5°	90.0°
C6	C1	C	H9	149.5°	150.0°
C6	C1	C	H10	29.5°	29.9°
C5	C6	C1	C2	0.2°	0.3°
C6	C5	C4	H1	180.0°	180.0°
C6	C5	C4	C3	0.5°	0.0°
C6	C5	C4	C7	177.0°	179.7°
C1	C2	C3	H7	180.0°	179.5°
C1	C2	C3	C4	0.5°	0.6°
C2	C1	C6	H2	179.9°	179.7°
C1	C2	C3	H6	179.5°	179.4°
C2	C1	C	H8	90.5°	89.8°
C2	C1	C	H9	29.5°	30.3°
C2	C1	C	H10	149.5°	150.3°
C5	C4	C3	C2	0.0°	0.3°
C5	C4	C3	C7	177.5°	179.7°
C5	C4	C7	C8	3.9°	0.3°
C4	C5	C6	H2	179.5°	180.0°
C5	C4	C7	H3	176.1°	179.8°
C5	C4	C3	H6	179.9°	179.7°
C2	C3	C4	H6	180.0°	180.0°
C2	C3	C4	C7	177.4°	180.0°
C3	C4	C7	C8	178.7°	180.0°
C3	C4	C5	H1	179.5°	180.0°
C3	C4	C7	H3	1.3°	0.1°
C4	C3	C2	H7	179.5°	180.0°
C4	C7	C8	H3	180.0°	179.9°
C4	C7	C8	C9	165.3°	180.0°
C7	C4	C5	H1	2.9°	0.3°
C4	C7	C8	H4	14.7°	0.0°
C7	C4	C3	H6	2.6°	0.0°
C7	C8	C9	H4	180.0°	180.0°
C7	C8	C9	O	179.1°	0.0°
C7	C8	C9	O1	2.8°	180.0°
C8	C9	O	O1	178.0°	180.0°
C9	C8	C7	H3	14.7°	0.0°
C8	C9	O1	H5	178.0°	180.0°
O	C9	C8	H4	0.9°	180.0°
O	C9	O1	H5	0.0°	0.1°
O1	C9	C8	H4	177.2°	0.0°
H1	C5	C6	H2	0.4°	0.0°
H3	C7	C8	H4	165.3°	179.9°
H6	C3	C2	H7	0.5°	0.0°
H8	C	H9	H10	120.0°	120.0°

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