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Summary Geometry Related PDB entries

6SM

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N2	C1	doub	1.32Å	1.35Å	Aromatic
N2	C4	sing	1.32Å	1.35Å	Aromatic
C1	N1	sing	1.31Å	1.34Å	Aromatic
C4	C3	doub	1.39Å	1.39Å	Aromatic
N1	C2	doub	1.33Å	1.35Å	Aromatic
C3	C2	sing	1.40Å	1.38Å	Aromatic
C3	CL	sing	1.74Å	1.80Å
C2	C5	sing	1.48Å	1.51Å
C5	O1	doub	1.21Å	1.26Å
C5	O2	sing	1.35Å	1.25Å
O2	H1	sing	0.97Å	0.95Å
C4	H2	sing	1.08Å	1.08Å
C1	H3	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C1	N2	C4	120.2°	121.0°
N2	C1	N1	121.2°	122.0°
N2	C1	H3	119.4°	118.9°
N2	C4	C3	119.5°	119.1°
N2	C4	H2	120.2°	120.4°
C1	N1	C2	120.9°	120.7°
N1	C1	H3	119.4°	119.0°
C4	C3	C2	119.2°	118.2°
C4	C3	CL	120.9°	120.8°
C3	C4	H2	120.3°	120.5°
N1	C2	C3	118.9°	118.9°
N1	C2	C5	120.0°	120.5°
C2	C3	CL	119.9°	120.9°
C3	C2	C5	121.1°	120.6°
C2	C5	O1	119.6°	119.9°
C2	C5	O2	118.4°	120.0°
O1	C5	O2	122.1°	120.0°
C5	O2	H1	109.5°	117.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N2	C1	N1	H3	180.0°	179.8°
C1	N2	C4	C3	0.2°	0.3°
N2	C1	N1	C2	0.1°	0.0°
C1	N2	C4	H2	179.8°	179.7°
C4	N2	C1	N1	0.2°	0.3°
N2	C4	C3	H2	180.0°	179.9°
N2	C4	C3	C2	0.3°	0.0°
N2	C4	C3	CL	179.9°	180.0°
C4	N2	C1	H3	179.9°	180.0°
C1	N1	C2	C3	0.2°	0.3°
C1	N1	C2	C5	179.8°	180.0°
C4	C3	C2	N1	0.3°	0.3°
C4	C3	C2	CL	179.8°	179.9°
C4	C3	C2	C5	179.9°	180.0°
N1	C2	C3	C5	179.6°	179.7°
N1	C2	C3	CL	179.9°	179.7°
N1	C2	C5	O1	76.8°	180.0°
N1	C2	C5	O2	102.7°	0.0°
C2	N1	C1	H3	179.9°	179.7°
C3	C2	C5	O1	103.5°	0.4°
C3	C2	C5	O2	77.0°	179.7°
C2	C3	C4	H2	179.7°	180.0°
CL	C3	C2	C5	0.3°	0.1°
CL	C3	C4	H2	0.1°	0.1°
C2	C5	O1	O2	179.5°	179.9°
C2	C5	O2	H1	179.5°	180.0°
O1	C5	O2	H1	0.0°	0.0°

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PDB entries from 2026-02-04

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