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Summary Geometry Related PDB entries

N6N

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
S1	C8	doub	1.71Å	1.69Å
C8	N2	sing	1.35Å	1.34Å
C8	N3	sing	1.35Å	1.37Å
N2	N1	sing	1.40Å	1.37Å
N3	C7	sing	1.38Å	1.38Å
N1	C7	doub	1.30Å	1.31Å
C7	C3	sing	1.48Å	1.44Å
C3	C2	doub	1.39Å	1.38Å	Aromatic
C3	C4	sing	1.40Å	1.39Å	Aromatic
C2	C1	sing	1.38Å	1.36Å	Aromatic
C4	C5	doub	1.38Å	1.38Å	Aromatic
C1	BR1	sing	1.89Å	1.90Å
C1	C6	doub	1.38Å	1.39Å	Aromatic
C5	C6	sing	1.38Å	1.39Å	Aromatic
C2	H2	sing	1.08Å	1.08Å
N2	H3	sing	0.97Å	1.00Å
N3	H4	sing	0.97Å	1.00Å
C4	H5	sing	1.08Å	1.08Å
C5	H6	sing	1.08Å	1.08Å
C6	H7	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
S1	C8	N2	127.4°	126.2°
S1	C8	N3	127.6°	126.1°
N2	C8	N3	104.9°	107.7°
C8	N2	N1	111.5°	107.5°
C8	N2	H3	124.2°	126.3°
C8	N3	C7	105.7°	108.2°
C8	N3	H4	127.1°	125.9°
N2	N1	C7	104.4°	108.1°
N1	N2	H3	124.2°	126.2°
N3	C7	N1	111.1°	108.5°
N3	C7	C3	124.1°	125.8°
C7	N3	H4	127.1°	125.8°
N1	C7	C3	124.7°	125.7°
C7	C3	C2	118.0°	120.2°
C7	C3	C4	122.2°	120.1°
C2	C3	C4	119.8°	119.7°
C3	C2	C1	119.8°	119.9°
C3	C2	H2	120.1°	120.1°
C3	C4	C5	119.9°	119.9°
C3	C4	H5	120.0°	120.1°
C2	C1	BR1	117.9°	120.0°
C2	C1	C6	121.4°	120.1°
C1	C2	H2	120.1°	120.0°
C4	C5	C6	120.0°	120.1°
C5	C4	H5	120.0°	120.0°
C4	C5	H6	119.9°	120.0°
BR1	C1	C6	120.6°	119.9°
C1	C6	C5	119.0°	120.3°
C1	C6	H7	120.5°	119.8°
C6	C5	H6	120.0°	119.9°
C5	C6	H7	120.5°	119.9°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
S1	C8	N2	N3	178.5°	179.9°
S1	C8	N2	N1	163.4°	180.0°
S1	C8	N3	C7	164.2°	180.0°
S1	C8	N2	H3	16.6°	0.1°
S1	C8	N3	H4	15.8°	0.1°
C8	N2	N1	H3	180.0°	179.9°
N2	C8	N3	C7	14.3°	0.1°
C8	N2	N1	C7	9.5°	0.0°
N2	C8	N3	H4	165.7°	180.0°
N3	C8	N2	N1	15.1°	0.1°
C8	N3	C7	H4	180.0°	179.9°
C8	N3	C7	N1	9.2°	0.0°
C8	N3	C7	C3	168.1°	179.9°
N3	C8	N2	H3	165.0°	180.0°
N2	N1	C7	N3	0.1°	0.0°
N2	N1	C7	C3	177.1°	180.0°
N3	C7	N1	C3	177.3°	180.0°
N3	C7	C3	C2	10.2°	180.0°
N3	C7	C3	C4	167.7°	0.0°
N1	C7	C3	C2	172.9°	0.1°
N1	C7	C3	C4	9.2°	179.9°
C7	N1	N2	H3	170.6°	179.9°
N1	C7	N3	H4	170.8°	179.9°
C7	C3	C2	C4	177.9°	180.0°
C7	C3	C2	C1	178.7°	180.0°
C7	C3	C4	C5	179.0°	180.0°
C7	C3	C2	H2	1.3°	0.0°
C3	C7	N3	H4	11.9°	0.0°
C7	C3	C4	H5	1.0°	0.0°
C3	C2	C1	H2	180.0°	180.0°
C2	C3	C4	C5	1.2°	0.0°
C3	C2	C1	BR1	179.4°	180.0°
C3	C2	C1	C6	0.3°	0.3°
C2	C3	C4	H5	178.8°	180.0°
C4	C3	C2	C1	0.8°	0.0°
C3	C4	C5	H5	180.0°	180.0°
C3	C4	C5	C6	1.2°	0.3°
C4	C3	C2	H2	179.2°	180.0°
C3	C4	C5	H6	178.8°	180.0°
C2	C1	BR1	C6	179.1°	179.7°
C2	C1	C6	C5	0.4°	0.6°
C2	C1	C6	H7	179.6°	179.8°
C4	C5	C6	C1	0.8°	0.6°
C4	C5	C6	H6	180.0°	179.7°
C4	C5	C6	H7	179.2°	179.8°
BR1	C1	C6	C5	179.4°	179.7°
BR1	C1	C2	H2	0.6°	0.1°
BR1	C1	C6	H7	0.6°	0.1°
C1	C6	C5	H7	180.0°	179.7°
C6	C1	C2	H2	179.6°	179.8°
C1	C6	C5	H6	179.2°	179.8°
C6	C5	C4	H5	178.8°	179.7°
H5	C4	C5	H6	1.2°	0.0°
H6	C5	C6	H7	0.8°	0.1°

248335

PDB entries from 2026-01-28

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