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Summary Geometry Related PDB entries

BBR

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
P	O1P	sing	0.00Å	1.52Å
P	O2P	sing	0.00Å	1.51Å
P	O3P	doub	0.00Å	1.49Å
P	O1	sing	0.00Å	1.62Å
O1	C1	sing	0.00Å	1.42Å
C1	C2	sing	0.00Å	1.50Å
C2	O3	doub	0.00Å	1.41Å
C2	C3	sing	0.00Å	1.51Å
C3	BR	sing	0.00Å	1.50Å
O1P	H1P	sing	0.00Å	0.95Å
O2P	H2P	sing	0.00Å	0.95Å
C1	H1C1	sing	0.00Å	1.10Å
C1	H1C2	sing	0.00Å	1.10Å
C3	H3C1	sing	0.00Å	1.10Å
C3	H3C2	sing	0.00Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1P	P	O2P	119.5°	90.0°
O1P	P	O3P	113.2°	90.0°
O1P	P	O1	104.6°	90.0°
P	O1P	H1P	109.5°	90.0°
O2P	P	O3P	113.1°	90.0°
O2P	P	O1	100.4°	90.0°
P	O2P	H2P	109.5°	90.0°
O3P	P	O1	103.3°	90.0°
P	O1	C1	123.0°	90.0°
O1	C1	C2	114.8°	90.0°
O1	C1	H1C1	107.7°	90.0°
O1	C1	H1C2	106.5°	90.0°
C1	C2	O3	120.7°	90.0°
C1	C2	C3	125.1°	90.0°
C2	C1	H1C1	107.7°	90.0°
C2	C1	H1C2	106.5°	90.0°
O3	C2	C3	114.2°	90.0°
C2	C3	BR	108.9°	90.0°
C2	C3	H3C1	109.6°	90.0°
C2	C3	H3C2	109.7°	90.0°
BR	C3	H3C1	109.7°	90.0°
BR	C3	H3C2	109.8°	90.0°
H1C1	C1	H1C2	113.8°	90.0°
H3C1	C3	H3C2	109.1°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1P	P	O2P	O3P	137.1°	90.0°
O1P	P	O2P	O1	113.5°	90.0°
O1P	P	O3P	O1	112.6°	90.0°
O1P	P	O1	C1	11.6°	90.0°
O1P	P	O2P	H2P	1.8°	90.0°
O2P	P	O3P	O1	107.6°	90.0°
O2P	P	O1	C1	112.8°	90.0°
O2P	P	O1P	H1P	170.1°	90.0°
O3P	P	O1	C1	130.3°	90.0°
O3P	P	O1P	H1P	52.8°	90.0°
O3P	P	O2P	H2P	135.3°	90.0°
P	O1	C1	C2	165.1°	90.0°
O1	P	O1P	H1P	58.9°	90.0°
O1	P	O2P	H2P	115.3°	90.0°
P	O1	C1	H1C1	74.9°	90.0°
P	O1	C1	H1C2	47.5°	90.0°
O1	C1	C2	H1C1	120.0°	90.0°
O1	C1	C2	H1C2	117.6°	90.0°
O1	C1	C2	O3	52.4°	90.0°
O1	C1	C2	C3	124.8°	90.0°
O1	C1	H1C1	H1C2	117.8°	90.0°
C1	C2	O3	C3	177.5°	90.0°
C1	C2	C3	BR	99.1°	90.0°
C2	C1	H1C1	H1C2	117.8°	90.0°
C1	C2	C3	H3C1	140.9°	90.0°
C1	C2	C3	H3C2	21.1°	90.0°
O3	C2	C3	BR	78.3°	90.0°
O3	C2	C1	H1C1	67.6°	90.0°
O3	C2	C1	H1C2	170.0°	90.0°
O3	C2	C3	H3C1	41.7°	90.0°
O3	C2	C3	H3C2	161.5°	90.0°
C2	C3	BR	H3C1	120.0°	90.0°
C2	C3	BR	H3C2	120.2°	90.0°
C3	C2	C1	H1C1	115.2°	90.0°
C3	C2	C1	H1C2	7.2°	90.0°
C2	C3	H3C1	H3C2	120.2°	90.0°
BR	C3	H3C1	H3C2	120.2°	90.0°

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