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Summary Geometry Related PDB entries

PIS

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
P1	O1	sing	1.61Å	1.57Å
P1	O2	sing	1.61Å	1.45Å
P1	O3	sing	1.61Å	1.50Å
P1	O5	doub	1.48Å	1.51Å
O1	P2	sing	1.61Å	1.66Å
P2	S1	sing	2.12Å	1.52Å
P2	O4	sing	1.61Å	1.49Å
P2	O6	doub	1.48Å	1.55Å
O2	HO2	sing	0.97Å	0.95Å
O3	HO3	sing	0.97Å	0.95Å
O4	HO4	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1	P1	O2	121.6°	109.5°
O1	P1	O3	115.3°	109.5°
O1	P1	O5	78.1°	109.4°
P1	O1	P2	133.5°	106.8°
O2	P1	O3	119.3°	109.5°
O2	P1	O5	85.4°	109.5°
P1	O2	HO2	109.5°	106.7°
O3	P1	O5	87.2°	109.4°
P1	O3	HO3	109.5°	106.8°
O1	P2	S1	106.1°	109.5°
O1	P2	O4	108.3°	109.5°
O1	P2	O6	109.4°	109.5°
S1	P2	O4	112.7°	109.5°
S1	P2	O6	107.7°	109.5°
O4	P2	O6	112.4°	109.5°
P2	O4	HO4	109.5°	106.8°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	P1	O2	O3	157.1°	120.0°
O1	P1	O2	O5	72.9°	120.0°
O1	P1	O3	O5	75.4°	119.9°
P1	O1	P2	S1	179.8°	60.0°
P1	O1	P2	O4	58.6°	180.0°
P1	O1	P2	O6	64.3°	60.0°
O1	P1	O2	HO2	63.8°	60.0°
O1	P1	O3	HO3	114.5°	180.0°
O2	P1	O3	O5	83.1°	120.0°
O2	P1	O1	P2	45.9°	75.0°
O2	P1	O3	HO3	87.0°	59.9°
O3	P1	O1	P2	156.2°	164.9°
O3	P1	O2	HO2	93.3°	60.0°
O5	P1	O1	P2	122.8°	45.0°
O5	P1	O2	HO2	9.1°	180.0°
O5	P1	O3	HO3	170.1°	60.1°
O1	P2	S1	O4	118.3°	120.0°
O1	P2	S1	O6	117.1°	120.0°
O1	P2	O4	O6	121.0°	120.0°
O1	P2	O4	HO4	72.4°	180.0°
S1	P2	O4	O6	121.9°	120.0°
S1	P2	O4	HO4	44.6°	60.0°
O6	P2	O4	HO4	166.6°	60.0°

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PDB entries from 2024-08-28

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