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Summary Geometry Related PDB entries

NIE

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N3	C2	sing	1.47Å	1.46Å
N3	O4	doub	1.22Å	1.22Å
N3	O5	sing	1.22Å	1.22Å
C1	C2	sing	1.53Å	1.53Å
C1	H1	sing	1.09Å	1.10Å
C1	H1A	sing	1.09Å	1.10Å
C1	H1B	sing	1.09Å	1.10Å
C2	H2	sing	1.09Å	1.10Å
C2	H2A	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	N3	O4	119.3°	120.0°
C2	N3	O5	120.9°	120.0°
N3	C2	C1	111.6°	109.5°
N3	C2	H2	108.8°	109.4°
N3	C2	H2A	108.3°	109.5°
O4	N3	O5	119.8°	120.0°
C2	C1	H1	109.5°	109.5°
C2	C1	H1A	109.5°	109.4°
C2	C1	H1B	109.5°	109.5°
C1	C2	H2	108.8°	109.5°
C1	C2	H2A	108.3°	109.5°
H1	C1	H1A	109.5°	109.5°
H1	C1	H1B	109.5°	109.5°
H1A	C1	H1B	109.5°	109.5°
H2	C2	H2A	111.1°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	N3	O4	O5	179.0°	179.7°
N3	C2	C1	H2	120.0°	120.0°
N3	C2	C1	H2A	119.1°	120.0°
N3	C2	C1	H1	75.1°	60.0°
N3	C2	C1	H1A	44.9°	180.0°
N3	C2	C1	H1B	164.9°	60.0°
N3	C2	H2	H2A	119.1°	120.0°
O4	N3	C2	C1	111.2°	45.0°
O4	N3	C2	H2	128.8°	165.0°
O4	N3	C2	H2A	7.9°	75.0°
O5	N3	C2	C1	69.7°	135.3°
O5	N3	C2	H2	50.3°	15.3°
O5	N3	C2	H2A	171.1°	104.7°
C2	C1	H1	H1A	120.0°	120.0°
C2	C1	H1	H1B	120.0°	120.0°
C2	C1	H1A	H1B	120.0°	120.0°
C1	C2	H2	H2A	119.2°	120.0°
H1	C1	H1A	H1B	120.0°	120.0°
H1	C1	C2	H2	164.9°	60.0°
H1	C1	C2	H2A	44.0°	180.0°
H1A	C1	C2	H2	75.1°	60.0°
H1A	C1	C2	H2A	164.0°	60.0°
H1B	C1	C2	H2	44.9°	180.0°
H1B	C1	C2	H2A	75.9°	60.0°

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