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Summary Geometry Related PDB entries

54I

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O3	N1	sing	1.42Å	1.39Å
N1	C3	doub	1.28Å	1.27Å
C3	C2	sing	1.51Å	1.52Å
C2	C1	sing	1.51Å	1.52Å
O2	C1	doub	1.21Å	1.22Å
C1	O1	sing	1.34Å	1.34Å
O1	H1	sing	0.97Å	0.95Å
O3	H2	sing	0.97Å	0.95Å
C2	H3	sing	1.09Å	1.10Å
C3	H5	sing	1.08Å	1.08Å
C2	H4	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O3	N1	C3	123.2°	120.0°
N1	O3	H2	109.5°	114.0°
N1	C3	C2	111.4°	120.0°
N1	C3	H5	124.3°	120.0°
C3	C2	C1	108.8°	109.5°
C3	C2	H3	109.6°	109.5°
C2	C3	H5	124.3°	120.0°
C3	C2	H4	109.6°	109.5°
C2	C1	O2	118.1°	120.0°
C2	C1	O1	123.1°	120.0°
C1	C2	H3	109.7°	109.5°
C1	C2	H4	109.6°	109.4°
O2	C1	O1	118.8°	120.0°
C1	O1	H1	109.5°	117.0°
H3	C2	H4	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O3	N1	C3	C2	179.8°	180.0°
O3	N1	C3	H5	0.2°	0.1°
N1	C3	C2	H5	180.0°	179.9°
N1	C3	C2	C1	82.3°	125.0°
C3	N1	O3	H2	180.0°	179.9°
N1	C3	C2	H3	37.6°	5.0°
N1	C3	C2	H4	157.8°	115.0°
C3	C2	C1	H3	119.9°	120.0°
C3	C2	C1	H4	119.9°	120.0°
C3	C2	C1	O2	68.5°	0.0°
C3	C2	C1	O1	111.7°	180.0°
C3	C2	H3	H4	120.3°	120.0°
C2	C1	O2	O1	179.8°	180.0°
C2	C1	O1	H1	179.7°	180.0°
C1	C2	H3	H4	120.3°	120.0°
C1	C2	C3	H5	97.7°	55.0°
O2	C1	O1	H1	0.0°	0.1°
O2	C1	C2	H3	171.6°	120.0°
O2	C1	C2	H4	51.4°	120.1°
O1	C1	C2	H3	8.1°	59.9°
O1	C1	C2	H4	128.4°	60.0°
H3	C2	C3	H5	142.4°	175.0°
H5	C3	C2	H4	22.2°	65.0°

225158

PDB entries from 2024-09-18

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