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Summary Geometry Related PDB entries

1CI

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C11	C10	doub	1.38Å	1.39Å	Aromatic
C11	C6	sing	1.39Å	1.39Å	Aromatic
C11	H11	sing	1.08Å	1.08Å
C10	C9	sing	1.38Å	1.39Å	Aromatic
C10	H10	sing	1.08Å	1.08Å
C9	CL	sing	1.74Å	1.73Å
C9	C8	doub	1.38Å	1.39Å	Aromatic
C8	C7	sing	1.38Å	1.39Å	Aromatic
C8	H8	sing	1.08Å	1.08Å
C7	C6	doub	1.39Å	1.39Å	Aromatic
C7	H7	sing	1.08Å	1.08Å
C6	N1	sing	1.40Å	1.33Å	Aromatic
N1	C5	sing	1.37Å	1.33Å	Aromatic
N1	C2	sing	1.36Å	1.33Å	Aromatic
C5	C4	doub	1.35Å	1.33Å	Aromatic
C5	H5	sing	1.08Å	1.08Å
C4	N3	sing	1.34Å	1.33Å	Aromatic
C4	H4	sing	1.08Å	1.08Å
N3	C2	doub	1.31Å	1.33Å	Aromatic
C2	H2	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C10	C11	C6	119.9°	120.0°
C10	C11	H11	120.1°	120.0°
C11	C10	C9	120.1°	120.0°
C11	C10	H10	120.0°	120.0°
C6	C11	H11	120.0°	120.0°
C11	C6	C7	120.1°	119.9°
C11	C6	N1	120.3°	120.0°
C9	C10	H10	120.0°	120.0°
C10	C9	CL	120.3°	119.9°
C10	C9	C8	120.0°	120.1°
CL	C9	C8	119.8°	120.0°
C9	C8	C7	120.0°	120.0°
C9	C8	H8	120.0°	120.0°
C7	C8	H8	120.0°	120.0°
C8	C7	C6	119.9°	120.0°
C8	C7	H7	120.0°	120.1°
C6	C7	H7	120.0°	120.0°
C7	C6	N1	119.6°	120.1°
C6	N1	C5	125.8°	126.4°
C6	N1	C2	126.1°	126.5°
C5	N1	C2	108.1°	107.1°
N1	C5	C4	107.9°	106.8°
N1	C5	H5	126.0°	126.6°
N1	C2	N3	108.0°	108.5°
N1	C2	H2	126.0°	125.7°
C4	C5	H5	126.1°	126.6°
C5	C4	N3	108.0°	108.2°
C5	C4	H4	126.0°	125.9°
N3	C4	H4	126.0°	125.8°
C4	N3	C2	108.0°	109.3°
N3	C2	H2	126.0°	125.7°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C10	C11	C6	H11	180.0°	179.7°
C11	C10	C9	H10	180.0°	180.0°
C11	C10	C9	CL	179.8°	180.0°
C11	C10	C9	C8	0.0°	0.0°
C10	C11	C6	C7	0.2°	0.0°
C10	C11	C6	N1	179.0°	180.0°
C6	C11	C10	C9	0.1°	0.0°
C6	C11	C10	H10	179.9°	180.0°
C11	C6	C7	C8	0.1°	0.0°
C11	C6	C7	N1	179.2°	180.0°
C11	C6	C7	H7	179.9°	180.0°
C11	C6	N1	C5	136.4°	180.0°
C11	C6	N1	C2	44.8°	0.3°
H11	C11	C10	C9	179.9°	179.7°
H11	C11	C10	H10	0.1°	0.3°
H11	C11	C6	C7	179.8°	179.7°
H11	C11	C6	N1	1.0°	0.3°
C10	C9	CL	C8	179.9°	180.0°
C10	C9	C8	C7	0.1°	0.0°
C10	C9	C8	H8	179.9°	180.0°
H10	C10	C9	CL	0.2°	0.0°
H10	C10	C9	C8	180.0°	180.0°
CL	C9	C8	C7	179.8°	180.0°
CL	C9	C8	H8	0.2°	0.0°
C9	C8	C7	H8	180.0°	180.0°
C9	C8	C7	C6	0.0°	0.0°
C9	C8	C7	H7	180.0°	180.0°
C8	C7	C6	H7	180.0°	180.0°
C8	C7	C6	N1	179.1°	180.0°
H8	C8	C7	C6	180.0°	180.0°
H8	C8	C7	H7	0.0°	0.0°
C7	C6	N1	C5	44.4°	0.0°
C7	C6	N1	C2	134.4°	179.7°
H7	C7	C6	N1	0.9°	0.0°
C6	N1	C5	C2	178.9°	179.7°
C6	N1	C5	C4	178.8°	180.0°
C6	N1	C5	H5	1.3°	0.0°
C6	N1	C2	N3	178.7°	179.9°
C6	N1	C2	H2	1.2°	0.0°
N1	C5	C4	H5	180.0°	180.0°
N1	C5	C4	N3	0.1°	0.0°
N1	C5	C4	H4	179.9°	180.0°
C5	N1	C2	N3	0.2°	0.4°
C5	N1	C2	H2	179.8°	179.7°
C2	N1	C5	C4	0.2°	0.2°
C2	N1	C5	H5	179.8°	179.7°
N1	C2	N3	C4	0.1°	0.4°
N1	C2	N3	H2	180.0°	179.9°
C5	C4	N3	H4	180.0°	180.0°
C5	C4	N3	C2	0.0°	0.3°
H5	C5	C4	N3	179.9°	180.0°
H5	C5	C4	H4	0.1°	0.1°
C4	N3	C2	H2	179.9°	179.7°
H4	C4	N3	C2	180.0°	179.8°

246704

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