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Summary Geometry Related PDB entries

PPI

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	sing	1.50Å	1.51Å
C1	O1	doub	1.21Å	1.25Å
C1	O2	sing	1.34Å	1.25Å
C2	C3	sing	1.53Å	1.52Å
C2	H21	sing	1.09Å	1.11Å
C2	H22	sing	1.09Å	1.12Å
C3	H31	sing	1.09Å	1.11Å
C3	H32	sing	1.09Å	1.12Å
C3	H33	sing	1.09Å	1.11Å
O2	HO2	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	O1	118.4°	120.0°
C2	C1	O2	118.6°	120.1°
C1	C2	C3	112.6°	109.5°
C1	C2	H21	111.1°	109.5°
C1	C2	H22	111.1°	109.5°
O1	C1	O2	123.0°	119.9°
C1	O2	HO2	118.7°	120.1°
C3	C2	H21	111.1°	109.5°
C3	C2	H22	111.0°	109.5°
C2	C3	H31	112.6°	109.5°
C2	C3	H32	111.0°	109.4°
C2	C3	H33	111.0°	109.4°
H21	C2	H22	99.3°	109.4°
H31	C3	H32	111.0°	109.4°
H31	C3	H33	111.1°	109.4°
H32	C3	H33	99.3°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	O1	O2	179.4°	180.0°
C1	C2	C3	H21	125.3°	120.0°
C1	C2	C3	H22	125.2°	120.0°
C1	C2	H21	H22	117.0°	120.0°
C1	C2	C3	H31	179.9°	180.0°
C1	C2	C3	H32	54.8°	60.0°
C1	C2	C3	H33	54.7°	60.0°
C2	C1	O2	HO2	180.0°	180.0°
O1	C1	C2	C3	105.9°	0.0°
O1	C1	C2	H21	19.4°	120.0°
O1	C1	C2	H22	128.9°	120.0°
O1	C1	O2	HO2	0.5°	0.0°
O2	C1	C2	C3	73.6°	180.0°
O2	C1	C2	H21	161.2°	60.0°
O2	C1	C2	H22	51.6°	60.0°
C3	C2	H21	H22	116.9°	120.0°
C2	C3	H31	H32	125.2°	120.0°
C2	C3	H31	H33	125.3°	120.0°
C2	C3	H32	H33	116.9°	120.0°
H21	C2	C3	H31	54.8°	60.0°
H21	C2	C3	H32	179.9°	60.0°
H21	C2	C3	H33	70.6°	180.0°
H22	C2	C3	H31	54.7°	60.0°
H22	C2	C3	H32	70.5°	180.0°
H22	C2	C3	H33	180.0°	60.0°
H31	C3	H32	H33	117.0°	120.0°

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