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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
C8	C5	sing	1.51Å	1.47Å
C6	C5	doub	1.38Å	1.38Å	Aromatic
C6	C7	sing	1.38Å	1.37Å	Aromatic
C5	C4	sing	1.38Å	1.39Å	Aromatic
C7	C2	doub	1.38Å	1.37Å	Aromatic
C4	C3	doub	1.38Å	1.39Å	Aromatic
C2	C3	sing	1.38Å	1.45Å	Aromatic
C2	C1	sing	1.51Å	1.47Å
C3	C9	sing	1.51Å	1.48Å
C8	H1	sing	1.09Å	1.10Å
C8	H2	sing	1.09Å	1.10Å
C8	H3	sing	1.09Å	1.10Å
C4	H4	sing	1.08Å	1.08Å
C9	H5	sing	1.09Å	1.10Å
C9	H6	sing	1.09Å	1.10Å
C9	H7	sing	1.09Å	1.10Å
C6	H8	sing	1.08Å	1.08Å
C7	H9	sing	1.08Å	1.08Å
C1	H10	sing	1.09Å	1.10Å
C1	H11	sing	1.09Å	1.10Å
C1	H12	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C8	C5	C6	114.2°	120.0°
C8	C5	C4	123.4°	120.0°
C5	C8	H1	109.5°	109.4°
C5	C8	H2	109.5°	109.5°
C5	C8	H3	109.5°	109.5°
C5	C6	C7	120.9°	120.0°
C6	C5	C4	122.4°	120.0°
C5	C6	H8	119.5°	120.0°
C6	C7	C2	119.0°	120.0°
C7	C6	H8	119.5°	120.0°
C6	C7	H9	120.5°	120.0°
C5	C4	C3	118.0°	120.0°
C5	C4	H4	121.0°	120.0°
C7	C2	C3	120.6°	120.0°
C7	C2	C1	121.6°	120.0°
C2	C7	H9	120.5°	120.0°
C4	C3	C2	119.1°	120.0°
C4	C3	C9	124.1°	120.0°
C3	C4	H4	121.0°	120.0°
C3	C2	C1	117.8°	120.0°
C2	C3	C9	116.7°	120.0°
C2	C1	H10	109.5°	109.5°
C2	C1	H11	109.5°	109.5°
C2	C1	H12	109.4°	109.4°
C3	C9	H5	109.5°	109.5°
C3	C9	H6	109.4°	109.5°
C3	C9	H7	109.5°	109.5°
H1	C8	H2	109.5°	109.5°
H1	C8	H3	109.5°	109.5°
H2	C8	H3	109.5°	109.5°
H5	C9	H6	109.4°	109.5°
H5	C9	H7	109.5°	109.5°
H6	C9	H7	109.5°	109.4°
H10	C1	H11	109.5°	109.5°
H10	C1	H12	109.5°	109.5°
H11	C1	H12	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C8	C5	C6	C4	179.3°	179.7°
C8	C5	C6	C7	179.8°	180.0°
C8	C5	C4	C3	178.9°	180.0°
C5	C8	H1	H2	120.0°	119.9°
C5	C8	H1	H3	120.0°	120.0°
C5	C8	H2	H3	120.0°	120.1°
C8	C5	C4	H4	1.1°	0.0°
C8	C5	C6	H8	0.3°	0.1°
C5	C6	C7	H8	180.0°	180.0°
C5	C6	C7	C2	1.7°	0.0°
C6	C5	C4	C3	0.3°	0.3°
C6	C5	C8	H1	89.7°	90.3°
C6	C5	C8	H2	150.3°	29.7°
C6	C5	C8	H3	30.3°	149.7°
C6	C5	C4	H4	179.7°	179.7°
C5	C6	C7	H9	178.3°	180.0°
C7	C6	C5	C4	1.0°	0.3°
C6	C7	C2	H9	180.0°	180.0°
C6	C7	C2	C3	1.3°	0.2°
C6	C7	C2	C1	179.6°	180.0°
C5	C4	C3	H4	180.0°	180.0°
C5	C4	C3	C2	0.7°	0.0°
C5	C4	C3	C9	178.2°	180.0°
C4	C5	C8	H1	89.5°	90.1°
C4	C5	C8	H2	30.5°	150.0°
C4	C5	C8	H3	150.4°	30.0°
C4	C5	C6	H8	179.0°	179.7°
C7	C2	C3	C4	0.1°	0.2°
C7	C2	C3	C1	179.1°	179.9°
C7	C2	C3	C9	177.7°	179.8°
C2	C7	C6	H8	178.3°	180.0°
C7	C2	C1	H10	89.5°	89.9°
C7	C2	C1	H11	150.5°	150.0°
C7	C2	C1	H12	30.5°	30.0°
C4	C3	C2	C9	177.7°	180.0°
C4	C3	C2	C1	179.2°	180.0°
C4	C3	C9	H5	91.4°	90.0°
C4	C3	C9	H6	148.6°	150.0°
C4	C3	C9	H7	28.6°	30.0°
C2	C3	C4	H4	179.3°	179.9°
C2	C3	C9	H5	91.0°	89.9°
C2	C3	C9	H6	29.0°	30.1°
C2	C3	C9	H7	149.0°	150.0°
C3	C2	C7	H9	178.8°	179.8°
C3	C2	C1	H10	89.6°	90.2°
C3	C2	C1	H11	30.4°	29.9°
C3	C2	C1	H12	150.4°	149.8°
C1	C2	C3	C9	1.5°	0.1°
C1	C2	C7	H9	0.3°	0.1°
C2	C1	H10	H11	120.0°	120.0°
C2	C1	H10	H12	120.0°	120.0°
C2	C1	H11	H12	120.0°	119.9°
C9	C3	C4	H4	1.8°	0.0°
C3	C9	H5	H6	120.0°	120.0°
C3	C9	H5	H7	120.0°	120.0°
C3	C9	H6	H7	120.0°	120.0°
H1	C8	H2	H3	120.0°	120.1°
H5	C9	H6	H7	120.0°	120.0°
H8	C6	C7	H9	1.7°	0.0°
H10	C1	H11	H12	120.0°	120.0°

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