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Summary Geometry Related PDB entries

A1BXF

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N2	C4	sing	1.39Å	1.38Å
C4	C3	doub	1.39Å	1.38Å	Aromatic
C4	C5	sing	1.42Å	1.43Å	Aromatic
C3	C2	sing	1.39Å	1.41Å	Aromatic
C6	C5	doub	1.40Å	1.41Å	Aromatic
C6	C7	sing	1.36Å	1.37Å	Aromatic
C5	C10	sing	1.42Å	1.41Å	Aromatic
C2	C1	sing	1.51Å	1.50Å
C2	N1	doub	1.31Å	1.32Å	Aromatic
C7	C8	doub	1.39Å	1.38Å	Aromatic
C10	N1	sing	1.34Å	1.37Å	Aromatic
C10	C9	doub	1.41Å	1.42Å	Aromatic
C8	C9	sing	1.36Å	1.38Å	Aromatic
C8	CL2	sing	1.74Å	1.73Å
C9	CL1	sing	1.74Å	1.74Å
C6	H1	sing	1.08Å	1.08Å
C7	H2	sing	1.08Å	1.08Å
C1	H3	sing	1.09Å	1.10Å
C1	H4	sing	1.09Å	1.10Å
C1	H5	sing	1.09Å	1.10Å
C3	H6	sing	1.08Å	1.08Å
N2	H7	sing	0.97Å	1.00Å
N2	H8	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N2	C4	C3	121.2°	121.1°
N2	C4	C5	120.0°	121.1°
C4	N2	H7	109.5°	120.0°
C4	N2	H8	109.4°	120.0°
C3	C4	C5	118.8°	117.8°
C4	C3	C2	120.0°	119.8°
C4	C3	H6	120.0°	120.1°
C4	C5	C6	123.4°	121.3°
C4	C5	C10	117.5°	118.9°
C3	C2	C1	120.3°	119.1°
C3	C2	N1	122.5°	121.8°
C2	C3	H6	120.0°	120.1°
C5	C6	C7	120.8°	119.7°
C6	C5	C10	119.1°	119.7°
C5	C6	H1	119.6°	120.2°
C6	C7	C8	120.3°	120.8°
C7	C6	H1	119.6°	120.2°
C6	C7	H2	119.9°	119.6°
C5	C10	N1	122.3°	120.0°
C5	C10	C9	119.0°	119.1°
C1	C2	N1	117.2°	119.0°
C2	C1	H3	109.5°	109.5°
C2	C1	H4	109.4°	109.4°
C2	C1	H5	109.4°	109.5°
C2	N1	C10	118.9°	121.7°
C7	C8	C9	121.3°	121.0°
C7	C8	CL2	119.0°	119.5°
C8	C7	H2	119.9°	119.6°
N1	C10	C9	118.7°	121.0°
C10	C9	C8	119.6°	119.7°
C10	C9	CL1	120.6°	120.1°
C9	C8	CL2	119.7°	119.5°
C8	C9	CL1	119.8°	120.1°
H3	C1	H4	109.5°	109.5°
H3	C1	H5	109.5°	109.5°
H4	C1	H5	109.5°	109.5°
H7	N2	H8	109.5°	119.9°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N2	C4	C3	C5	179.7°	180.0°
N2	C4	C3	C2	179.5°	180.0°
N2	C4	C5	C6	1.8°	0.0°
N2	C4	C5	C10	179.3°	180.0°
N2	C4	C3	H6	0.5°	0.0°
C4	N2	H7	H8	120.0°	180.0°
C4	C3	C2	H6	180.0°	180.0°
C3	C4	C5	C6	178.5°	180.0°
C3	C4	C5	C10	0.4°	0.0°
C4	C3	C2	C1	179.3°	180.0°
C4	C3	C2	N1	0.2°	0.0°
C3	C4	N2	H7	180.0°	0.0°
C3	C4	N2	H8	60.0°	180.0°
C5	C4	C3	C2	0.2°	0.0°
C4	C5	C6	C10	178.8°	180.0°
C4	C5	C6	C7	179.4°	180.0°
C4	C5	C10	N1	0.5°	0.0°
C4	C5	C10	C9	179.5°	180.0°
C4	C5	C6	H1	0.6°	0.1°
C5	C4	C3	H6	179.8°	180.0°
C5	C4	N2	H7	0.3°	180.0°
C5	C4	N2	H8	119.7°	0.0°
C3	C2	C1	N1	179.5°	180.0°
C3	C2	N1	C10	0.3°	0.0°
C3	C2	C1	H3	179.5°	89.9°
C3	C2	C1	H4	60.5°	30.0°
C3	C2	C1	H5	59.5°	150.0°
C5	C6	C7	H1	180.0°	179.9°
C5	C6	C7	C8	0.2°	0.0°
C6	C5	C10	N1	178.4°	180.0°
C6	C5	C10	C9	0.6°	0.0°
C5	C6	C7	H2	179.8°	180.0°
C7	C6	C5	C10	0.6°	0.0°
C6	C7	C8	H2	180.0°	180.0°
C6	C7	C8	C9	1.0°	0.0°
C6	C7	C8	CL2	179.2°	180.0°
C5	C10	N1	C2	0.5°	0.0°
C5	C10	N1	C9	179.0°	180.0°
C5	C10	C9	C8	0.1°	0.0°
C5	C10	C9	CL1	180.0°	180.0°
C10	C5	C6	H1	179.4°	179.9°
C1	C2	N1	C10	179.2°	180.0°
C2	C1	H3	H4	120.0°	119.9°
C2	C1	H3	H5	120.0°	120.1°
C2	C1	H4	H5	120.0°	120.0°
C1	C2	C3	H6	0.7°	0.0°
C2	N1	C10	C9	179.5°	180.0°
N1	C2	C1	H3	0.0°	90.0°
N1	C2	C1	H4	120.0°	150.0°
N1	C2	C1	H5	120.0°	30.0°
N1	C2	C3	H6	179.8°	180.0°
C7	C8	C9	C10	1.0°	0.0°
C7	C8	C9	CL2	179.8°	180.0°
C7	C8	C9	CL1	179.2°	180.0°
C8	C7	C6	H1	179.8°	179.9°
N1	C10	C9	C8	179.2°	180.0°
N1	C10	C9	CL1	1.0°	0.0°
C10	C9	C8	CL1	179.8°	180.0°
C10	C9	C8	CL2	179.2°	180.0°
C9	C8	C7	H2	179.0°	180.0°
CL2	C8	C9	CL1	0.6°	0.1°
CL2	C8	C7	H2	0.8°	0.0°
H1	C6	C7	H2	0.2°	0.1°
H3	C1	H4	H5	120.0°	120.0°

250059

PDB entries from 2026-03-04

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