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Summary Geometry Related PDB entries

MLA

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	O1A	sing	1.34Å	1.26Å
C1	O1B	doub	1.21Å	1.26Å
C1	C2	sing	1.51Å	1.55Å
O1A	H1A	sing	0.97Å	0.95Å
C2	C3	sing	1.51Å	1.55Å
C2	HC21	sing	1.09Å	1.11Å
C2	HC22	sing	1.09Å	1.11Å
C3	O3A	doub	1.21Å	1.25Å
C3	O3B	sing	1.34Å	1.25Å
O3B	H3B	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1A	C1	O1B	121.7°	120.0°
O1A	C1	C2	117.6°	120.0°
C1	O1A	H1A	121.7°	120.0°
O1B	C1	C2	120.7°	120.0°
C1	C2	C3	111.8°	109.5°
C1	C2	HC21	111.4°	109.5°
C1	C2	HC22	111.4°	109.5°
C3	C2	HC21	111.4°	109.5°
C3	C2	HC22	111.4°	109.5°
C2	C3	O3A	120.3°	120.0°
C2	C3	O3B	118.1°	120.0°
HC21	C2	HC22	99.0°	109.4°
O3A	C3	O3B	121.6°	120.0°
C3	O3B	H3B	118.2°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1A	C1	O1B	C2	179.3°	180.0°
O1A	C1	C2	C3	155.9°	180.0°
O1A	C1	C2	HC21	78.8°	60.0°
O1A	C1	C2	HC22	30.7°	60.0°
O1B	C1	O1A	H1A	180.0°	0.0°
O1B	C1	C2	C3	24.7°	0.0°
O1B	C1	C2	HC21	100.6°	120.0°
O1B	C1	C2	HC22	150.0°	120.0°
C2	C1	O1A	H1A	0.6°	180.0°
C1	C2	C3	HC21	125.3°	120.0°
C1	C2	C3	HC22	125.3°	120.0°
C1	C2	HC21	HC22	117.3°	120.0°
C1	C2	C3	O3A	34.0°	0.0°
C1	C2	C3	O3B	147.2°	180.0°
C3	C2	HC21	HC22	117.2°	120.0°
C2	C3	O3A	O3B	178.8°	180.0°
C2	C3	O3B	H3B	180.0°	180.0°
HC21	C2	C3	O3A	91.3°	120.0°
HC21	C2	C3	O3B	87.5°	60.0°
HC22	C2	C3	O3A	159.2°	120.0°
HC22	C2	C3	O3B	21.9°	60.0°
O3A	C3	O3B	H3B	1.2°	0.0°

246704

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