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Summary Geometry Related PDB entries

A1BXC

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N1	C1	sing	1.39Å	1.35Å
N2	C1	doub	1.32Å	1.33Å	Aromatic
N2	C9	sing	1.34Å	1.38Å	Aromatic
C8	C7	doub	1.36Å	1.36Å	Aromatic
C8	C9	sing	1.41Å	1.41Å	Aromatic
C1	C2	sing	1.40Å	1.43Å	Aromatic
C7	C6	sing	1.39Å	1.41Å	Aromatic
C9	C4	doub	1.42Å	1.42Å	Aromatic
C2	C3	doub	1.36Å	1.35Å	Aromatic
C6	C5	doub	1.36Å	1.36Å	Aromatic
C4	C5	sing	1.40Å	1.42Å	Aromatic
C4	C3	sing	1.41Å	1.42Å	Aromatic
C5	CL1	sing	1.74Å	1.74Å
N1	H1	sing	0.97Å	1.00Å
N1	H2	sing	0.97Å	1.00Å
C6	H3	sing	1.08Å	1.08Å
C7	H4	sing	1.08Å	1.08Å
C8	H5	sing	1.08Å	1.08Å
C2	H6	sing	1.08Å	1.08Å
C3	H7	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N1	C1	N2	117.4°	119.3°
N1	C1	C2	119.6°	119.2°
C1	N1	H1	109.5°	120.0°
C1	N1	H2	109.5°	119.9°
C1	N2	C9	118.3°	121.2°
N2	C1	C2	123.0°	121.5°
N2	C9	C8	119.1°	121.0°
N2	C9	C4	121.6°	119.9°
C7	C8	C9	120.9°	119.8°
C8	C7	C6	120.5°	121.0°
C8	C7	H4	119.7°	119.5°
C7	C8	H5	119.6°	120.1°
C8	C9	C4	119.3°	119.1°
C9	C8	H5	119.6°	120.1°
C1	C2	C3	119.1°	119.9°
C1	C2	H6	120.4°	120.1°
C7	C6	C5	119.9°	120.8°
C7	C6	H3	120.1°	119.6°
C6	C7	H4	119.7°	119.5°
C9	C4	C5	117.8°	119.6°
C9	C4	C3	118.1°	119.1°
C2	C3	C4	119.9°	118.3°
C3	C2	H6	120.4°	120.1°
C2	C3	H7	120.0°	120.9°
C6	C5	C4	121.6°	119.6°
C6	C5	CL1	118.3°	120.2°
C5	C6	H3	120.0°	119.6°
C5	C4	C3	124.1°	121.3°
C4	C5	CL1	120.2°	120.2°
C4	C3	H7	120.1°	120.8°
H1	N1	H2	109.5°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N1	C1	N2	C2	179.9°	179.2°
N1	C1	N2	C9	179.8°	180.0°
N1	C1	C2	C3	180.0°	180.0°
C1	N1	H1	H2	120.0°	179.8°
N1	C1	C2	H6	0.0°	0.0°
C1	N2	C9	C8	179.5°	179.9°
C1	N2	C9	C4	0.2°	0.5°
N2	C1	C2	C3	0.1°	0.8°
N2	C1	N1	H1	0.0°	179.1°
N2	C1	N1	H2	120.0°	1.1°
N2	C1	C2	H6	180.0°	179.2°
N2	C9	C8	C7	179.8°	180.0°
N2	C9	C8	C4	179.7°	179.6°
C9	N2	C1	C2	0.1°	0.8°
N2	C9	C4	C5	179.7°	179.9°
N2	C9	C4	C3	0.0°	0.2°
N2	C9	C8	H5	0.2°	0.2°
C7	C8	C9	H5	180.0°	179.7°
C8	C7	C6	H4	180.0°	179.9°
C7	C8	C9	C4	0.2°	0.5°
C8	C7	C6	C5	0.3°	0.0°
C8	C7	C6	H3	179.6°	180.0°
C9	C8	C7	C6	0.3°	0.2°
C8	C9	C4	C5	0.0°	0.5°
C8	C9	C4	C3	179.6°	179.8°
C9	C8	C7	H4	179.7°	179.8°
C1	C2	C3	H6	180.0°	180.0°
C1	C2	C3	C4	0.2°	0.6°
C2	C1	N1	H1	179.9°	0.1°
C2	C1	N1	H2	60.0°	179.7°
C1	C2	C3	H7	179.8°	179.5°
C7	C6	C5	H3	180.0°	180.0°
C7	C6	C5	C4	0.2°	0.0°
C7	C6	C5	CL1	179.9°	180.0°
C6	C7	C8	H5	179.7°	179.9°
C9	C4	C3	C2	0.2°	0.3°
C9	C4	C5	C6	0.1°	0.3°
C9	C4	C5	C3	179.6°	179.7°
C9	C4	C5	CL1	179.9°	179.7°
C4	C9	C8	H5	179.8°	179.8°
C9	C4	C3	H7	179.9°	179.8°
C2	C3	C4	C5	179.5°	180.0°
C2	C3	C4	H7	180.0°	179.9°
C6	C5	C4	CL1	179.9°	180.0°
C6	C5	C4	C3	179.6°	179.9°
C5	C6	C7	H4	179.6°	180.0°
C4	C5	C6	H3	179.8°	180.0°
C5	C4	C3	H7	0.5°	0.1°
C3	C4	C5	CL1	0.3°	0.1°
C4	C3	C2	H6	179.8°	179.5°
CL1	C5	C6	H3	0.1°	0.0°
H3	C6	C7	H4	0.4°	0.0°
H4	C7	C8	H5	0.4°	0.0°
H6	C2	C3	H7	0.2°	0.5°

249697

PDB entries from 2026-02-25

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