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Summary Geometry Related PDB entries

CPZ

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C11	C10	doub	1.39Å	1.39Å	Aromatic
C11	C6	sing	1.39Å	1.39Å	Aromatic
C11	H11	sing	1.09Å	1.10Å
C10	C9	sing	1.40Å	1.39Å	Aromatic
C10	H10	sing	1.09Å	1.10Å
C9	C8	doub	1.39Å	1.39Å	Aromatic
C9	CL	sing	1.72Å	90.34Å
C8	C7	sing	1.39Å	1.39Å	Aromatic
C8	H8	sing	1.09Å	1.10Å
C7	C6	doub	1.39Å	1.39Å	Aromatic
C7	H7	sing	1.09Å	1.10Å
C6	C4	sing	1.44Å	1.39Å	Aromatic
C4	C2	doub	1.37Å	1.33Å	Aromatic
C4	N3	sing	1.36Å	1.33Å	Aromatic
C2	N1	sing	1.37Å	1.33Å	Aromatic
C2	H2	sing	1.08Å	1.10Å
N1	C5	doub	1.31Å	1.33Å	Aromatic
C5	N3	sing	1.37Å	1.33Å	Aromatic
C5	H5	sing	1.08Å	1.10Å
N3	HN3	sing	1.01Å	1.02Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C10	C11	C6	120.3°	120.0°
C10	C11	H11	119.8°	119.1°
C11	C10	C9	120.6°	120.0°
C11	C10	H10	119.7°	119.3°
C6	C11	H11	119.9°	120.9°
C11	C6	C7	118.7°	120.0°
C11	C6	C4	121.4°	120.0°
C9	C10	H10	119.6°	120.7°
C10	C9	C8	119.4°	120.0°
C10	C9	CL	97.4°	120.0°
C8	C9	CL	117.9°	120.0°
C9	C8	C7	119.7°	120.0°
C9	C8	H8	120.1°	120.8°
C7	C8	H8	120.2°	119.2°
C8	C7	C6	121.3°	120.0°
C8	C7	H7	119.4°	119.2°
C6	C7	H7	119.3°	120.9°
C7	C6	C4	119.9°	120.0°
C6	C4	C2	127.5°	131.5°
C6	C4	N3	125.7°	123.4°
C2	C4	N3	106.8°	105.1°
C4	C2	N1	109.5°	111.0°
C4	C2	H2	125.2°	127.9°
C4	N3	C5	108.4°	107.3°
C4	N3	HN3	125.9°	126.7°
N1	C2	H2	125.3°	121.0°
C2	N1	C5	106.6°	104.8°
N1	C5	N3	108.7°	111.8°
N1	C5	H5	125.8°	126.1°
N3	C5	H5	125.6°	122.1°
C5	N3	HN3	125.7°	125.9°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C10	C11	C6	H11	180.0°	180.0°
C11	C10	C9	H10	180.0°	179.9°
C11	C10	C9	C8	0.6°	0.0°
C11	C10	C9	CL	128.5°	179.9°
C10	C11	C6	C7	0.4°	0.0°
C10	C11	C6	C4	179.5°	180.0°
C6	C11	C10	C9	0.1°	0.0°
C6	C11	C10	H10	179.9°	179.9°
C11	C6	C7	C8	0.3°	0.0°
C11	C6	C7	C4	179.9°	180.0°
C11	C6	C7	H7	179.7°	180.0°
C11	C6	C4	C2	23.9°	30.1°
C11	C6	C4	N3	157.9°	150.0°
H11	C11	C10	C9	179.9°	179.9°
H11	C11	C10	H10	0.1°	0.1°
H11	C11	C6	C7	179.7°	179.9°
H11	C11	C6	C4	0.4°	0.0°
C10	C9	C8	CL	117.7°	179.9°
C10	C9	C8	C7	0.7°	0.0°
C10	C9	C8	H8	179.3°	179.9°
H10	C10	C9	C8	179.4°	179.9°
H10	C10	C9	CL	51.5°	0.0°
C9	C8	C7	H8	180.0°	179.9°
C9	C8	C7	C6	0.3°	0.0°
C9	C8	C7	H7	179.7°	180.0°
CL	C9	C8	C7	118.4°	179.9°
CL	C9	C8	H8	61.6°	0.0°
C8	C7	C6	H7	180.0°	180.0°
C8	C7	C6	C4	179.6°	180.0°
H8	C8	C7	C6	179.7°	179.9°
H8	C8	C7	H7	0.3°	0.1°
C7	C6	C4	C2	156.2°	150.0°
C7	C6	C4	N3	22.0°	30.0°
H7	C7	C6	C4	0.3°	0.0°
C6	C4	C2	N3	178.4°	180.0°
C6	C4	C2	N1	178.2°	180.0°
C6	C4	C2	H2	1.8°	0.1°
C6	C4	N3	C5	178.3°	180.0°
C6	C4	N3	HN3	1.8°	0.1°
C4	C2	N1	H2	180.0°	179.9°
C4	C2	N1	C5	0.1°	0.1°
C2	C4	N3	C5	0.2°	0.0°
C2	C4	N3	HN3	179.8°	180.0°
N3	C4	C2	N1	0.2°	0.0°
N3	C4	C2	H2	179.8°	179.9°
C4	N3	C5	N1	0.1°	0.0°
C4	N3	C5	HN3	180.0°	179.9°
C4	N3	C5	H5	179.9°	179.9°
C2	N1	C5	N3	0.0°	0.0°
C2	N1	C5	H5	180.0°	179.9°
H2	C2	N1	C5	179.9°	180.0°
N1	C5	N3	H5	180.0°	180.0°
N1	C5	N3	HN3	179.8°	179.9°
H5	C5	N3	HN3	0.2°	0.1°

246704

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