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Summary Geometry Related PDB entries

TCN

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
NI	C1	sing	2.18Å	1.87Å
NI	C2	sing	2.18Å	1.87Å
NI	C3	sing	2.18Å	1.87Å
NI	C4	sing	2.18Å	1.87Å
C1	N1	trip	1.14Å	1.15Å
C2	N2	trip	1.14Å	1.15Å
C3	N3	trip	1.14Å	1.15Å
C4	N4	trip	1.14Å	1.15Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C1	NI	C2	90.0°	109.5°
C1	NI	C3	177.5°	109.5°
C1	NI	C4	90.0°	109.5°
NI	C1	N1	178.7°	180.0°
C2	NI	C3	90.0°	109.5°
C2	NI	C4	178.2°	109.5°
NI	C2	N2	178.9°	180.0°
C3	NI	C4	90.0°	109.5°
NI	C3	N3	178.9°	180.0°
NI	C4	N4	179.0°	180.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C1	NI	C2	C3	177.5°	120.0°
C1	NI	C2	C4	89.6°	120.0°
C1	NI	C3	C4	88.4°	120.0°
C1	NI	C2	N2	91.6°	180.0°
C1	NI	C3	N3	170.9°	60.0°
C1	NI	C4	N4	84.3°	60.0°
C2	NI	C3	C4	178.2°	120.0°
C2	NI	C1	N1	92.5°	180.0°
C2	NI	C3	N3	81.0°	60.0°
C2	NI	C4	N4	5.2°	60.0°
C3	NI	C1	N1	2.6°	60.0°
C3	NI	C2	N2	90.9°	60.0°
C3	NI	C4	N4	93.2°	180.0°
C4	NI	C1	N1	85.7°	60.0°
C4	NI	C2	N2	178.9°	60.0°
C4	NI	C3	N3	100.7°	180.0°

222415

PDB entries from 2024-07-10

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