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Summary Geometry Related PDB entries

IP8

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O	P1	doub	1.48Å	1.51Å
C1	C2	sing	1.53Å	1.53Å
C1	O1	sing	1.43Å	1.43Å
C1	H1	sing	1.09Å	1.10Å
C1	H1A	sing	1.09Å	1.10Å
P1	O1	sing	1.61Å	1.61Å
O3	P1	sing	1.61Å	1.51Å
P1	O2	sing	1.61Å	1.51Å
C3	C2	sing	1.51Å	1.51Å
C2	H2	sing	1.09Å	1.10Å
C2	H2A	sing	1.09Å	1.10Å
O2	HO2	sing	0.97Å	0.95Å
C5	C3	doub	1.31Å	1.32Å
C3	C4	sing	1.51Å	1.50Å
O3	HO3	sing	0.97Å	0.95Å
C4	H4	sing	1.09Å	1.10Å
C4	H4A	sing	1.09Å	1.10Å
C4	H4B	sing	1.09Å	1.10Å
C5	H5	sing	1.08Å	1.08Å
C5	H5A	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O	P1	O1	104.2°	109.4°
O	P1	O3	113.1°	109.5°
O	P1	O2	114.6°	109.4°
C2	C1	O1	109.7°	109.5°
C2	C1	H1	109.4°	109.5°
C2	C1	H1A	109.4°	109.5°
C1	C2	C3	109.9°	109.5°
C1	C2	H2	109.4°	109.4°
C1	C2	H2A	109.4°	109.4°
O1	C1	H1	109.4°	109.5°
O1	C1	H1A	109.4°	109.5°
C1	O1	P1	119.9°	123.0°
H1	C1	H1A	109.5°	109.5°
O1	P1	O3	104.2°	109.5°
O1	P1	O2	104.1°	109.5°
O3	P1	O2	115.0°	109.5°
P1	O3	HO3	109.5°	113.9°
P1	O2	HO2	109.5°	114.0°
C3	C2	H2	109.3°	109.5°
C3	C2	H2A	109.4°	109.5°
C2	C3	C5	120.2°	120.0°
C2	C3	C4	119.9°	120.0°
H2	C2	H2A	109.5°	109.5°
C5	C3	C4	120.0°	120.0°
C3	C5	H5	120.0°	120.0°
C3	C5	H5A	120.0°	120.0°
C3	C4	H4	109.5°	109.5°
C3	C4	H4A	109.5°	109.5°
C3	C4	H4B	109.5°	109.5°
H4	C4	H4A	109.5°	109.5°
H4	C4	H4B	109.5°	109.5°
H4A	C4	H4B	109.4°	109.4°
H5	C5	H5A	120.0°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O	P1	O1	C1	86.6°	55.0°
O	P1	O1	O3	118.8°	120.0°
O	P1	O1	O2	120.4°	119.9°
O	P1	O3	O2	134.3°	120.0°
O	P1	O2	HO2	0.0°	60.1°
O	P1	O3	HO3	0.0°	180.0°
C2	C1	O1	H1	120.0°	120.0°
C2	C1	O1	H1A	120.0°	120.0°
C2	C1	H1	H1A	119.9°	120.0°
C2	C1	O1	P1	160.3°	180.0°
C1	C2	C3	H2	120.1°	120.0°
C1	C2	C3	H2A	120.1°	120.0°
C1	C2	H2	H2A	119.8°	120.0°
C1	C2	C3	C5	46.3°	95.0°
C1	C2	C3	C4	133.7°	85.0°
O1	C1	H1	H1A	119.9°	120.0°
C1	O1	P1	O3	32.1°	65.0°
C1	O1	P1	O2	153.0°	175.0°
O1	C1	C2	C3	175.9°	180.0°
O1	C1	C2	H2	55.8°	60.0°
O1	C1	C2	H2A	64.0°	60.0°
H1	C1	O1	P1	79.6°	60.0°
H1	C1	C2	C3	55.8°	60.0°
H1	C1	C2	H2	64.2°	180.0°
H1	C1	C2	H2A	175.9°	60.0°
H1A	C1	O1	P1	40.3°	60.0°
H1A	C1	C2	C3	64.1°	60.0°
H1A	C1	C2	H2	175.8°	60.0°
H1A	C1	C2	H2A	56.0°	180.0°
O1	P1	O3	O2	113.2°	120.0°
O1	P1	O2	HO2	113.1°	180.0°
O1	P1	O3	HO3	112.5°	60.0°
O3	P1	O2	HO2	133.6°	59.9°
O2	P1	O3	HO3	134.3°	60.0°
C3	C2	H2	H2A	119.8°	120.0°
C2	C3	C5	C4	180.0°	179.9°
C2	C3	C4	H4	180.0°	0.0°
C2	C3	C4	H4A	60.0°	120.0°
C2	C3	C4	H4B	60.0°	120.0°
C2	C3	C5	H5	180.0°	180.0°
C2	C3	C5	H5A	0.0°	0.1°
H2	C2	C3	C5	166.4°	25.0°
H2	C2	C3	C4	13.6°	155.0°
H2A	C2	C3	C5	73.8°	145.0°
H2A	C2	C3	C4	106.3°	35.0°
C5	C3	C4	H4	0.0°	180.0°
C5	C3	C4	H4A	120.0°	59.9°
C5	C3	C4	H4B	120.1°	60.0°
C3	C5	H5	H5A	180.0°	179.9°
C3	C4	H4	H4A	120.0°	120.0°
C3	C4	H4	H4B	120.0°	120.0°
C3	C4	H4A	H4B	120.0°	120.0°
C4	C3	C5	H5	0.0°	0.1°
C4	C3	C5	H5A	180.0°	180.0°
H4	C4	H4A	H4B	120.0°	120.0°

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