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Summary Geometry Related PDB entries

BXA

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O1	C1	doub	1.21Å	1.34Å
O2	C1	sing	1.34Å	1.22Å
C1	C2	sing	1.51Å	1.52Å
C2	BR2	sing	1.97Å	1.95Å
C2	H2	sing	1.09Å	1.10Å
C2	H2A	sing	1.09Å	1.10Å
O2	HO2	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1	C1	O2	120.8°	120.0°
O1	C1	C2	113.5°	120.0°
O2	C1	C2	123.2°	120.0°
C1	O2	HO2	109.5°	117.0°
C1	C2	BR2	115.9°	109.5°
C1	C2	H2	107.4°	109.5°
C1	C2	H2A	107.4°	109.5°
BR2	C2	H2	107.4°	109.5°
BR2	C2	H2A	107.4°	109.5°
H2	C2	H2A	111.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C1	O2	C2	161.0°	179.7°
O1	C1	C2	BR2	39.6°	0.0°
O1	C1	C2	H2	159.6°	120.0°
O1	C1	C2	H2A	80.4°	120.0°
O1	C1	O2	HO2	0.0°	0.2°
O2	C1	C2	BR2	158.1°	179.7°
O2	C1	C2	H2	38.1°	59.8°
O2	C1	C2	H2A	81.9°	60.3°
C1	C2	BR2	H2	120.0°	120.0°
C1	C2	BR2	H2A	120.0°	120.0°
C1	C2	H2	H2A	117.4°	120.0°
C2	C1	O2	HO2	161.0°	180.0°
BR2	C2	H2	H2A	117.4°	120.0°

223532

PDB entries from 2024-08-07

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