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Summary Geometry Related PDB entries

DPF

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O4	P1	sing	1.61Å	1.52Å
O4	HO4	sing	0.97Å	0.95Å
P1	O3	sing	1.61Å	1.61Å
P1	O2	doub	1.48Å	1.51Å
P1	O1	sing	1.61Å	1.61Å
O3	C1	sing	1.43Å	1.43Å
C1	C4	sing	1.53Å	1.51Å
C1	H11	sing	1.09Å	1.10Å
C1	H12	sing	1.09Å	1.10Å
C4	H41	sing	1.09Å	1.10Å
C4	H42	sing	1.09Å	1.10Å
C4	H43	sing	1.09Å	1.10Å
O1	C2	sing	1.43Å	1.42Å
C2	C3	sing	1.53Å	1.51Å
C2	H21	sing	1.09Å	1.10Å
C2	H22	sing	1.09Å	1.10Å
C3	H31	sing	1.09Å	1.10Å
C3	H32	sing	1.09Å	1.10Å
C3	H33	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
P1	O4	HO4	109.5°	114.0°
O4	P1	O3	107.6°	109.5°
O4	P1	O2	112.9°	109.5°
O4	P1	O1	113.2°	109.5°
O3	P1	O2	112.6°	109.5°
O3	P1	O1	105.1°	109.4°
P1	O3	C1	122.6°	122.9°
O2	P1	O1	105.2°	109.5°
P1	O1	C2	128.0°	122.9°
O3	C1	C4	106.2°	109.4°
O3	C1	H11	110.6°	109.5°
O3	C1	H12	111.3°	109.5°
C4	C1	H11	110.6°	109.5°
C4	C1	H12	111.3°	109.4°
C1	C4	H41	109.5°	109.5°
C1	C4	H42	109.5°	109.5°
C1	C4	H43	109.4°	109.5°
H11	C1	H12	107.0°	109.5°
H41	C4	H42	109.5°	109.5°
H41	C4	H43	109.5°	109.5°
H42	C4	H43	109.5°	109.5°
O1	C2	C3	103.3°	109.4°
O1	C2	H21	111.6°	109.5°
O1	C2	H22	112.9°	109.5°
C3	C2	H21	111.6°	109.4°
C3	C2	H22	112.9°	109.5°
C2	C3	H31	109.5°	109.5°
C2	C3	H32	109.5°	109.5°
C2	C3	H33	109.4°	109.5°
H21	C2	H22	104.8°	109.5°
H31	C3	H32	109.5°	109.5°
H31	C3	H33	109.5°	109.5°
H32	C3	H33	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O4	P1	O3	O2	125.1°	120.0°
O4	P1	O3	O1	120.9°	119.9°
O4	P1	O2	O1	123.9°	120.0°
O4	P1	O3	C1	71.9°	65.0°
O4	P1	O1	C2	122.7°	65.0°
HO4	O4	P1	O3	145.5°	60.0°
HO4	O4	P1	O2	20.6°	180.0°
HO4	O4	P1	O1	98.9°	60.0°
O3	P1	O2	O1	113.9°	120.0°
P1	O3	C1	C4	166.4°	180.0°
P1	O3	C1	H11	46.4°	60.0°
P1	O3	C1	H12	72.3°	60.1°
O3	P1	O1	C2	5.6°	175.0°
O2	P1	O3	C1	163.0°	55.0°
O2	P1	O1	C2	113.5°	55.0°
O1	P1	O3	C1	48.9°	175.0°
P1	O1	C2	C3	162.0°	180.0°
P1	O1	C2	H21	78.0°	60.1°
P1	O1	C2	H22	39.7°	60.0°
O3	C1	C4	H11	120.0°	120.0°
O3	C1	C4	H12	121.3°	120.0°
O3	C1	H11	H12	121.3°	120.1°
O3	C1	C4	H41	44.1°	60.0°
O3	C1	C4	H42	164.1°	60.0°
O3	C1	C4	H43	75.9°	180.0°
C4	C1	H11	H12	121.3°	120.0°
C1	C4	H41	H42	120.0°	120.0°
C1	C4	H41	H43	120.0°	120.0°
C1	C4	H42	H43	120.0°	120.0°
H11	C1	C4	H41	75.9°	180.0°
H11	C1	C4	H42	44.1°	60.0°
H11	C1	C4	H43	164.1°	60.0°
H12	C1	C4	H41	165.4°	60.0°
H12	C1	C4	H42	74.6°	180.0°
H12	C1	C4	H43	45.4°	60.0°
H41	C4	H42	H43	120.0°	120.0°
O1	C2	C3	H21	120.0°	120.0°
O1	C2	C3	H22	122.3°	120.0°
O1	C2	H21	H22	122.5°	120.0°
O1	C2	C3	H31	179.7°	60.0°
O1	C2	C3	H32	60.3°	60.0°
O1	C2	C3	H33	59.7°	180.0°
C3	C2	H21	H22	122.5°	120.0°
C2	C3	H31	H32	120.0°	120.0°
C2	C3	H31	H33	120.0°	120.0°
C2	C3	H32	H33	120.0°	120.0°
H21	C2	C3	H31	59.7°	180.0°
H21	C2	C3	H32	179.7°	60.0°
H21	C2	C3	H33	60.3°	60.0°
H22	C2	C3	H31	58.1°	60.0°
H22	C2	C3	H32	62.0°	180.0°
H22	C2	C3	H33	178.1°	60.0°
H31	C3	H32	H33	120.0°	120.0°

246704

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