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Summary Geometry Related PDB entries

2DB

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
B	O6	sing	0.00Å	1.47Å
B	O4	sing	0.00Å	1.46Å
B	O5	sing	0.00Å	1.46Å
B	O1	sing	0.00Å	1.47Å
O6	HO6	sing	0.00Å	0.95Å
O4	HO4	sing	0.00Å	0.95Å
O5	HO5	sing	0.00Å	0.95Å
C1	O1	sing	0.00Å	1.51Å
C1	C2	sing	0.00Å	1.52Å
C1	H11	sing	0.00Å	1.10Å
C1	H12	sing	0.00Å	1.10Å
C2	O2	sing	0.00Å	1.50Å
C2	C3	sing	0.00Å	1.54Å
C2	H2	sing	0.00Å	1.10Å
O2	HO2	sing	0.00Å	0.95Å
C3	O3	sing	0.00Å	1.50Å
C3	H31	sing	0.00Å	1.10Å
C3	H32	sing	0.00Å	1.10Å
O3	HO3	sing	0.00Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O6	B	O4	109.5°	90.0°
O6	B	O5	111.5°	90.0°
O6	B	O1	108.5°	90.0°
B	O6	HO6	109.5°	90.0°
O4	B	O5	106.6°	90.0°
O4	B	O1	107.8°	90.0°
B	O4	HO4	109.5°	90.0°
O5	B	O1	112.9°	90.0°
B	O5	HO5	109.5°	90.0°
B	O1	C1	112.6°	90.0°
O1	C1	C2	111.3°	90.0°
O1	C1	H11	108.9°	90.0°
O1	C1	H12	108.5°	90.0°
C2	C1	H11	108.9°	90.0°
C2	C1	H12	108.5°	90.0°
C1	C2	O2	114.7°	90.0°
C1	C2	C3	109.9°	90.0°
C1	C2	H2	106.0°	90.0°
H11	C1	H12	110.9°	90.0°
O2	C2	C3	111.0°	90.0°
O2	C2	H2	104.8°	90.0°
C2	O2	HO2	109.5°	90.0°
C3	C2	H2	110.2°	90.0°
C2	C3	O3	106.3°	90.0°
C2	C3	H31	110.6°	90.0°
C2	C3	H32	111.2°	90.0°
O3	C3	H31	110.5°	90.0°
O3	C3	H32	111.2°	90.0°
C3	O3	HO3	109.5°	90.0°
H31	C3	H32	107.0°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O6	B	O4	O5	120.8°	90.0°
O6	B	O4	O1	117.8°	90.0°
O6	B	O5	O1	122.4°	90.0°
O6	B	O4	HO4	150.0°	90.0°
O6	B	O5	HO5	0.1°	90.0°
O6	B	O1	C1	65.2°	90.0°
O4	B	O5	O1	118.1°	90.0°
O4	B	O6	HO6	63.2°	90.0°
O4	B	O5	HO5	119.6°	90.0°
O4	B	O1	C1	176.4°	90.0°
O5	B	O6	HO6	179.0°	90.0°
O5	B	O4	HO4	89.2°	90.0°
O5	B	O1	C1	59.0°	90.0°
O1	B	O6	HO6	54.1°	90.0°
O1	B	O4	HO4	32.3°	90.0°
O1	B	O5	HO5	122.3°	90.0°
B	O1	C1	C2	161.5°	90.0°
B	O1	C1	H11	78.5°	90.0°
B	O1	C1	H12	42.3°	90.0°
O1	C1	C2	H11	120.0°	90.0°
O1	C1	C2	H12	119.2°	90.0°
O1	C1	H11	H12	119.2°	90.0°
O1	C1	C2	O2	53.5°	90.0°
O1	C1	C2	C3	179.4°	90.0°
O1	C1	C2	H2	61.6°	90.0°
C2	C1	H11	H12	119.3°	90.0°
C1	C2	O2	C3	125.3°	90.0°
C1	C2	O2	H2	115.8°	90.0°
C1	C2	C3	H2	116.4°	90.0°
C1	C2	O2	HO2	127.5°	90.0°
C1	C2	C3	O3	157.7°	90.0°
C1	C2	C3	H31	82.3°	90.0°
C1	C2	C3	H32	36.5°	90.0°
H11	C1	C2	O2	66.5°	90.0°
H11	C1	C2	C3	59.4°	90.0°
H11	C1	C2	H2	178.4°	90.0°
H12	C1	C2	O2	172.8°	90.0°
H12	C1	C2	C3	61.3°	90.0°
H12	C1	C2	H2	57.7°	90.0°
O2	C2	C3	H2	115.6°	90.0°
O2	C2	C3	O3	74.3°	90.0°
O2	C2	C3	H31	45.7°	90.0°
O2	C2	C3	H32	164.5°	90.0°
C3	C2	O2	HO2	107.2°	90.0°
C2	C3	O3	H31	120.0°	90.0°
C2	C3	O3	H32	121.2°	90.0°
C2	C3	H31	H32	121.3°	90.0°
C2	C3	O3	HO3	166.4°	90.0°
H2	C2	O2	HO2	11.7°	90.0°
H2	C2	C3	O3	41.3°	90.0°
H2	C2	C3	H31	161.3°	90.0°
H2	C2	C3	H32	79.9°	90.0°
O3	C3	H31	H32	121.3°	90.0°
H31	C3	O3	HO3	46.4°	90.0°
H32	C3	O3	HO3	72.4°	90.0°

219869

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