P53

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
P	O2P	sing	1.61Å	1.51Å
P	O1P	sing	1.61Å	1.52Å
C1A	C10	sing	1.38Å	1.39Å	Aromatic
C1A	H1A	sing	1.08Å	1.08Å
C2A	C1A	doub	1.38Å	1.39Å	Aromatic
C2A	C4A	sing	1.38Å	1.39Å	Aromatic
C2A	H2A	sing	1.08Å	1.08Å
C4A	C6A	doub	1.38Å	1.40Å	Aromatic
C4A	H4A	sing	1.08Å	1.08Å
C6A	C8	sing	1.39Å	1.39Å	Aromatic
C6A	H6	sing	1.08Å	1.08Å
O6	P	sing	1.61Å	1.57Å
O6	C6	sing	1.43Å	1.40Å
C8	O1	sing	1.36Å	1.43Å
C10	C8	doub	1.39Å	1.41Å	Aromatic
C10	C13	sing	1.51Å	1.50Å
C13	H13	sing	1.09Å	1.10Å
O15	C13	sing	1.43Å	1.37Å
O1	C1	sing	1.43Å	1.36Å
C1	O5	sing	1.43Å	1.40Å
C1	H1	sing	1.09Å	1.10Å
O1P	HO1P	sing	0.97Å	0.95Å
C2	C1	sing	1.53Å	1.54Å
C2	C3	sing	1.53Å	1.43Å
C2	H2	sing	1.09Å	1.10Å
C3	C4	sing	1.53Å	1.42Å
C3	H3	sing	1.09Å	1.10Å
C4	C5	sing	1.53Å	1.52Å
C4	O4	sing	1.43Å	1.46Å
C4	H4	sing	1.09Å	1.10Å
C5	C6	sing	1.53Å	1.46Å
C5	H5	sing	1.09Å	1.10Å
O5	C5	sing	1.43Å	1.45Å
O2P	HO2P	sing	0.97Å	0.95Å
O2	C2	sing	1.43Å	1.41Å
O2	HO2	sing	0.97Å	0.95Å
O3	C3	sing	1.43Å	1.48Å
O3	HO3	sing	0.97Å	0.95Å
O4	HO4	sing	0.97Å	0.95Å
C6	H61	sing	1.09Å	1.10Å
C6	H62	sing	1.09Å	1.10Å
O3P	P	doub	1.48Å	1.54Å
C13	H18	sing	1.09Å	1.10Å
O15	H191	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O2P	P	O1P	110.1°	109.5°
O2P	P	O6	106.1°	109.5°
P	O2P	HO2P	109.5°	114.0°
O2P	P	O3P	110.4°	109.4°
O1P	P	O6	105.8°	109.5°
P	O1P	HO1P	109.5°	114.0°
O1P	P	O3P	111.5°	109.5°
C10	C1A	H1A	119.9°	120.0°
C10	C1A	C2A	120.2°	120.0°
C1A	C10	C8	119.8°	119.9°
C1A	C10	C13	119.6°	120.0°
H1A	C1A	C2A	119.9°	119.9°
C1A	C2A	C4A	120.5°	120.1°
C1A	C2A	H2A	119.7°	119.9°
C4A	C2A	H2A	119.7°	120.0°
C2A	C4A	C6A	119.6°	120.0°
C2A	C4A	H4A	120.2°	120.0°
C6A	C4A	H4A	120.2°	120.0°
C4A	C6A	C8	120.2°	120.0°
C4A	C6A	H6	119.9°	120.0°
C8	C6A	H6	119.9°	120.1°
C6A	C8	O1	121.8°	120.1°
C6A	C8	C10	119.7°	119.9°
P	O6	C6	112.3°	123.0°
O6	P	O3P	112.7°	109.5°
O6	C6	C5	117.1°	109.5°
O6	C6	H61	107.5°	109.5°
O6	C6	H62	107.5°	109.5°
O1	C8	C10	118.5°	120.0°
C8	O1	C1	121.6°	117.0°
C8	C10	C13	120.6°	120.1°
C10	C13	H13	106.6°	109.4°
C10	C13	O15	120.7°	109.5°
C10	C13	H18	106.6°	109.5°
H13	C13	O15	106.6°	109.5°
H13	C13	H18	109.5°	109.5°
O15	C13	H18	106.6°	109.4°
C13	O15	H191	109.5°	114.0°
O1	C1	O5	110.6°	109.5°
O1	C1	H1	105.4°	109.4°
O1	C1	C2	111.5°	109.5°
O5	C1	H1	104.9°	109.5°
O5	C1	C2	119.6°	109.4°
C1	O5	C5	118.2°	114.1°
H1	C1	C2	103.5°	109.5°
C1	C2	C3	112.4°	109.2°
C1	C2	H2	107.9°	109.5°
C1	C2	O2	109.1°	109.5°
C3	C2	H2	109.3°	109.6°
C2	C3	C4	107.3°	109.0°
C2	C3	H3	108.6°	109.5°
C3	C2	O2	108.4°	109.6°
C2	C3	O3	109.2°	109.6°
H2	C2	O2	109.7°	109.5°
C4	C3	H3	108.7°	109.5°
C3	C4	C5	109.4°	109.1°
C3	C4	O4	112.2°	109.5°
C3	C4	H4	108.7°	109.5°
C4	C3	O3	114.8°	109.5°
H3	C3	O3	108.0°	109.6°
C5	C4	O4	110.7°	109.5°
C5	C4	H4	107.4°	109.5°
C4	C5	C6	111.3°	109.4°
C4	C5	H5	108.1°	109.5°
C4	C5	O5	115.0°	109.5°
O4	C4	H4	108.2°	109.6°
C4	O4	HO4	109.5°	114.0°
C6	C5	H5	108.9°	109.5°
C6	C5	O5	104.5°	109.5°
C5	C6	H61	107.6°	109.4°
C5	C6	H62	107.6°	109.5°
H5	C5	O5	109.0°	109.5°
C2	O2	HO2	109.5°	114.0°
C3	O3	HO3	109.5°	114.0°
H61	C6	H62	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O2P	P	O1P	O6	114.2°	120.0°
O2P	P	O1P	O3P	122.9°	120.0°
O2P	P	O6	O3P	120.9°	120.0°
O2P	P	O6	C6	52.0°	175.0°
O2P	P	O1P	HO1P	122.9°	60.0°
O1P	P	O6	O3P	122.1°	120.0°
O1P	P	O6	C6	65.0°	65.0°
O1P	P	O2P	HO2P	123.6°	60.0°
C10	C1A	H1A	C2A	180.0°	179.7°
C10	C1A	C2A	C4A	0.2°	0.0°
C10	C1A	C2A	H2A	179.8°	180.0°
C1A	C10	C8	C6A	1.7°	0.0°
C1A	C10	C8	O1	178.3°	179.9°
C1A	C10	C8	C13	178.8°	179.7°
C1A	C10	C13	H13	162.9°	120.0°
C1A	C10	C13	O15	75.5°	0.0°
C1A	C10	C13	H18	46.1°	120.0°
H1A	C1A	C2A	C4A	179.8°	179.7°
H1A	C1A	C2A	H2A	0.2°	0.3°
H1A	C1A	C10	C8	179.1°	179.7°
H1A	C1A	C10	C13	0.3°	0.0°
C1A	C2A	C4A	H2A	180.0°	180.0°
C1A	C2A	C4A	C6A	0.4°	0.0°
C1A	C2A	C4A	H4A	179.6°	180.0°
C2A	C1A	C10	C8	0.9°	0.0°
C2A	C1A	C10	C13	179.7°	179.7°
C2A	C4A	C6A	H4A	180.0°	179.9°
C2A	C4A	C6A	C8	0.5°	0.0°
C2A	C4A	C6A	H6	179.5°	180.0°
H2A	C2A	C4A	C6A	179.6°	179.9°
H2A	C2A	C4A	H4A	0.4°	0.0°
C4A	C6A	C8	H6	180.0°	180.0°
C4A	C6A	C8	O1	178.0°	179.9°
C4A	C6A	C8	C10	1.6°	0.0°
H4A	C4A	C6A	C8	179.5°	180.0°
H4A	C4A	C6A	H6	0.5°	0.0°
C6A	C8	O1	C10	176.5°	179.9°
C6A	C8	C10	C13	179.4°	179.7°
C6A	C8	O1	C1	47.3°	0.1°
H6	C6A	C8	O1	2.0°	0.1°
H6	C6A	C8	C10	178.4°	180.0°
O6	P	O1P	HO1P	122.9°	60.0°
P	O6	C6	C5	133.0°	180.0°
O6	P	O2P	HO2P	122.3°	180.0°
P	O6	C6	H61	11.9°	60.0°
P	O6	C6	H62	105.9°	60.0°
O6	C6	C5	C4	51.3°	175.0°
O6	C6	C5	H61	121.1°	120.0°
O6	C6	C5	H62	121.1°	120.0°
O6	C6	C5	H5	170.3°	55.0°
O6	C6	C5	O5	73.3°	65.1°
O6	C6	H61	H62	116.5°	120.0°
C6	O6	P	O3P	172.9°	55.0°
O1	C8	C10	C13	2.8°	0.2°
C8	O1	C1	O5	53.6°	64.9°
C8	O1	C1	H1	166.4°	55.1°
C8	O1	C1	C2	82.0°	175.1°
C8	C10	C13	H13	15.9°	60.3°
C8	C10	C13	O15	105.7°	179.7°
C10	C8	O1	C1	136.2°	180.0°
C8	C10	C13	H18	132.8°	59.8°
C10	C13	H13	O15	130.1°	120.0°
C10	C13	H13	H18	114.9°	120.0°
C10	C13	O15	H18	121.6°	120.0°
C10	C13	O15	H191	180.0°	180.0°
H13	C13	O15	H18	116.9°	120.1°
H13	C13	O15	H191	58.4°	60.0°
O1	C1	O5	H1	113.1°	120.0°
O1	C1	O5	C2	131.5°	120.0°
O1	C1	H1	C2	117.2°	120.0°
O1	C1	C2	C3	155.5°	177.6°
O1	C1	C2	H2	34.9°	57.7°
O1	C1	O5	C5	135.5°	178.8°
O1	C1	C2	O2	84.2°	62.4°
O5	C1	H1	C2	126.1°	120.0°
O5	C1	C2	C3	24.4°	57.6°
O5	C1	C2	H2	96.2°	62.3°
C1	O5	C5	C4	16.1°	61.2°
C1	O5	C5	C6	138.4°	178.9°
C1	O5	C5	H5	105.4°	58.8°
O5	C1	C2	O2	144.7°	177.5°
H1	C1	C2	C3	91.7°	62.4°
H1	C1	C2	H2	147.7°	177.7°
H1	C1	O5	C5	111.4°	58.9°
H1	C1	C2	O2	28.6°	57.5°
HO1P	O1P	P	O3P	0.0°	179.9°
C1	C2	C3	H2	119.8°	119.9°
C1	C2	C3	O2	120.6°	119.9°
C1	C2	H2	O2	118.7°	120.1°
C1	C2	C3	C4	56.9°	57.0°
C1	C2	C3	H3	60.5°	62.9°
C2	C1	O5	C5	4.0°	61.1°
C1	C2	O2	HO2	180.0°	60.0°
C1	C2	C3	O3	178.1°	176.9°
C3	C2	H2	O2	118.8°	120.2°
C2	C3	C4	H3	117.3°	119.8°
C2	C3	C4	O3	121.6°	119.9°
C2	C3	H3	O3	118.3°	120.2°
C2	C3	C4	C5	69.8°	57.0°
C2	C3	C4	O4	166.9°	176.9°
C2	C3	C4	H4	47.2°	62.9°
C3	C2	O2	HO2	57.4°	179.7°
C2	C3	O3	HO3	180.0°	59.9°
H2	C2	C3	C4	62.9°	62.9°
H2	C2	C3	H3	179.7°	177.2°
H2	C2	O2	HO2	62.0°	60.1°
H2	C2	C3	O3	62.2°	56.9°
C4	C3	H3	O3	125.2°	120.2°
C3	C4	C5	O4	124.2°	119.9°
C3	C4	C5	H4	117.8°	119.9°
C3	C4	O4	H4	120.0°	120.2°
C3	C4	C5	C6	168.1°	177.6°
C3	C4	C5	H5	72.5°	62.4°
C3	C4	C5	O5	49.5°	57.6°
C4	C3	C2	O2	177.5°	176.9°
C4	C3	O3	HO3	59.4°	179.5°
C3	C4	O4	HO4	180.0°	60.0°
H3	C3	C4	C5	47.5°	62.9°
H3	C3	C4	O4	75.8°	57.0°
H3	C3	C4	H4	164.5°	177.3°
H3	C3	C2	O2	60.1°	57.0°
H3	C3	O3	HO3	62.1°	60.2°
C5	C4	O4	H4	117.5°	120.2°
C4	C5	C6	H5	119.0°	120.0°
C4	C5	C6	O5	124.7°	119.9°
C4	C5	H5	O5	125.6°	120.0°
C5	C4	C3	O3	168.6°	176.9°
C5	C4	O4	HO4	57.4°	179.6°
C4	C5	C6	H61	69.7°	65.0°
C4	C5	C6	H62	172.4°	55.0°
O4	C4	C5	C6	67.8°	62.5°
O4	C4	C5	H5	51.7°	57.5°
O4	C4	C5	O5	173.7°	177.5°
O4	C4	C3	O3	45.3°	63.2°
H4	C4	C5	C6	50.2°	57.7°
H4	C4	C5	H5	169.7°	177.7°
H4	C4	C5	O5	68.3°	62.2°
H4	C4	C3	O3	74.4°	57.0°
H4	C4	O4	HO4	60.0°	60.1°
C6	C5	H5	O5	113.4°	120.0°
C5	C6	H61	H62	116.6°	120.0°
H5	C5	C6	H61	49.3°	175.0°
H5	C5	C6	H62	68.6°	65.0°
O5	C5	C6	H61	165.6°	55.0°
O5	C5	C6	H62	47.8°	175.0°
HO2P	O2P	P	O3P	0.0°	60.0°
O2	C2	C3	O3	57.4°	63.3°
H18	C13	O15	H191	58.4°	60.0°

Definition date:	2012-06-01
Last modified:	2020-07-17
Release status:	REL
Processing site:	RCSB
Derived from:	4F79