ATP

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
PG	O1G	doub	1.48Å	1.49Å
PG	O2G	sing	1.61Å	1.48Å
PG	O3G	sing	1.61Å	1.47Å
PG	O3B	sing	1.61Å	1.59Å
O2G	HOG2	sing	0.97Å	0.95Å
O3G	HOG3	sing	0.97Å	0.95Å
PB	O1B	doub	1.48Å	1.42Å
PB	O2B	sing	1.61Å	1.45Å
PB	O3B	sing	1.61Å	1.59Å
PB	O3A	sing	1.61Å	1.68Å
O2B	HOB2	sing	0.97Å	0.95Å
PA	O1A	doub	1.48Å	1.44Å
PA	O2A	sing	1.61Å	1.46Å
PA	O3A	sing	1.61Å	1.56Å
PA	O5'	sing	1.61Å	1.45Å
O2A	HOA2	sing	0.97Å	0.95Å
O5'	C5'	sing	1.43Å	1.25Å
C5'	C4'	sing	1.53Å	1.45Å
C5'	H5'1	sing	1.09Å	1.11Å
C5'	H5'2	sing	1.09Å	1.11Å
C4'	O4'	sing	1.44Å	1.44Å
C4'	C3'	sing	1.54Å	1.49Å
C4'	H4'	sing	1.09Å	1.12Å
O4'	C1'	sing	1.44Å	1.46Å
C3'	O3'	sing	1.43Å	1.41Å
C3'	C2'	sing	1.55Å	1.53Å
C3'	H3'	sing	1.09Å	1.11Å
O3'	HO3'	sing	0.97Å	0.95Å
C2'	O2'	sing	1.43Å	1.41Å
C2'	C1'	sing	1.54Å	1.56Å
C2'	H2'	sing	1.09Å	1.11Å
O2'	HO2'	sing	0.97Å	0.95Å
C1'	N9	sing	1.46Å	1.47Å
C1'	H1'	sing	1.09Å	1.12Å
N9	C8	sing	1.36Å	1.40Å	Aromatic
N9	C4	sing	1.37Å	1.34Å	Aromatic
C8	N7	doub	1.30Å	1.30Å	Aromatic
C8	H8	sing	1.08Å	1.10Å
N7	C5	sing	1.35Å	1.39Å	Aromatic
C5	C6	sing	1.40Å	1.42Å	Aromatic
C5	C4	doub	1.40Å	1.36Å	Aromatic
C6	N6	sing	1.38Å	1.32Å
C6	N1	doub	1.33Å	1.37Å	Aromatic
N6	HN61	sing	0.97Å	1.02Å
N6	HN62	sing	0.97Å	1.02Å
N1	C2	sing	1.32Å	1.33Å	Aromatic
C2	N3	doub	1.32Å	1.33Å	Aromatic
C2	H2	sing	1.08Å	1.10Å
N3	C4	sing	1.33Å	1.40Å	Aromatic

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1G	PG	O2G	114.4°	109.5°
O1G	PG	O3G	112.3°	109.5°
O1G	PG	O3B	109.6°	109.5°
O2G	PG	O3G	113.5°	109.4°
O2G	PG	O3B	102.0°	109.5°
PG	O2G	HOG2	114.3°	106.8°
O3G	PG	O3B	103.9°	109.5°
PG	O3G	HOG3	112.3°	106.8°
PG	O3B	PB	133.8°	106.8°
O1B	PB	O2B	121.6°	109.5°
O1B	PB	O3B	115.7°	109.5°
O1B	PB	O3A	94.5°	109.4°
O2B	PB	O3B	119.2°	109.5°
O2B	PB	O3A	102.2°	109.5°
PB	O2B	HOB2	121.6°	106.7°
O3B	PB	O3A	91.8°	109.5°
PB	O3A	PA	130.1°	106.8°
O1A	PA	O2A	122.3°	109.5°
O1A	PA	O3A	117.6°	109.4°
O1A	PA	O5'	82.7°	109.4°
O2A	PA	O3A	118.3°	109.5°
O2A	PA	O5'	103.6°	109.5°
PA	O2A	HOA2	122.3°	106.8°
O3A	PA	O5'	97.0°	109.5°
PA	O5'	C5'	158.3°	106.8°
O5'	C5'	C4'	149.7°	109.5°
O5'	C5'	H5'1	98.9°	109.5°
O5'	C5'	H5'2	98.9°	109.5°
C4'	C5'	H5'1	98.9°	109.4°
C4'	C5'	H5'2	98.9°	109.5°
C5'	C4'	O4'	99.5°	110.4°
C5'	C4'	C3'	87.8°	110.5°
C5'	C4'	H4'	127.2°	110.3°
H5'1	C5'	H5'2	107.6°	109.5°
O4'	C4'	C3'	109.2°	104.8°
O4'	C4'	H4'	110.4°	110.4°
C4'	O4'	C1'	110.0°	105.3°
C3'	C4'	H4'	119.4°	110.4°
C4'	C3'	O3'	115.8°	110.5°
C4'	C3'	C2'	103.4°	104.1°
C4'	C3'	H3'	112.3°	110.5°
O4'	C1'	C2'	105.7°	104.9°
O4'	C1'	N9	106.3°	110.4°
O4'	C1'	H1'	115.5°	110.4°
O3'	C3'	C2'	116.6°	110.6°
O3'	C3'	H3'	97.7°	110.4°
C3'	O3'	HO3'	115.8°	106.8°
C2'	C3'	H3'	111.4°	110.6°
C3'	C2'	O2'	108.5°	110.5°
C3'	C2'	C1'	105.1°	104.0°
C3'	C2'	H2'	113.1°	110.5°
O2'	C2'	C1'	110.1°	110.8°
O2'	C2'	H2'	108.3°	110.5°
C2'	O2'	HO2'	108.6°	106.8°
C1'	C2'	H2'	111.6°	110.4°
C2'	C1'	N9	114.0°	110.4°
C2'	C1'	H1'	108.1°	110.3°
N9	C1'	H1'	107.5°	110.3°
C1'	N9	C8	130.0°	126.3°
C1'	N9	C4	124.6°	126.4°
C8	N9	C4	105.4°	107.4°
N9	C8	N7	114.0°	110.0°
N9	C8	H8	126.3°	125.0°
N9	C4	C5	106.3°	106.1°
N9	C4	N3	126.1°	134.9°
N7	C8	H8	119.7°	125.0°
C8	N7	C5	102.3°	109.4°
N7	C5	C6	132.5°	134.7°
N7	C5	C4	112.0°	107.1°
C6	C5	C4	115.5°	118.2°
C5	C6	N6	122.1°	120.8°
C5	C6	N1	118.2°	118.5°
C5	C4	N3	127.6°	119.1°
N6	C6	N1	119.6°	120.8°
C6	N6	HN61	122.1°	120.1°
C6	N6	HN62	107.7°	120.0°
C6	N1	C2	120.4°	121.2°
HN61	N6	HN62	107.8°	119.9°
N1	C2	N3	127.3°	122.4°
N1	C2	H2	116.3°	118.8°
N3	C2	H2	116.4°	118.8°
C2	N3	C4	111.0°	120.6°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1G	PG	O2G	O3G	130.7°	120.0°
O1G	PG	O2G	O3B	118.2°	120.0°
O1G	PG	O3G	O3B	118.4°	120.1°
O1G	PG	O2G	HOG2	180.0°	60.0°
O1G	PG	O3G	HOG3	180.0°	180.0°
O1G	PG	O3B	PB	11.8°	60.0°
O2G	PG	O3G	O3B	109.9°	120.0°
O2G	PG	O3G	HOG3	48.4°	60.0°
O2G	PG	O3B	PB	109.8°	180.0°
O3G	PG	O2G	HOG2	49.3°	60.0°
O3G	PG	O3B	PB	132.0°	60.0°
O3B	PG	O2G	HOG2	61.8°	180.0°
O3B	PG	O3G	HOG3	61.6°	59.9°
PG	O3B	PB	O1B	166.8°	60.0°
PG	O3B	PB	O2B	7.7°	60.0°
PG	O3B	PB	O3A	97.4°	179.9°
O1B	PB	O2B	O3B	157.8°	120.0°
O1B	PB	O2B	O3A	103.1°	120.0°
O1B	PB	O3B	O3A	95.8°	119.9°
O1B	PB	O2B	HOB2	180.0°	180.0°
O1B	PB	O3A	PA	112.1°	60.0°
O2B	PB	O3B	O3A	105.1°	120.1°
O2B	PB	O3A	PA	11.6°	60.0°
O3B	PB	O2B	HOB2	22.2°	60.0°
O3B	PB	O3A	PA	132.0°	180.0°
O3A	PB	O2B	HOB2	76.8°	60.0°
PB	O3A	PA	O1A	93.5°	60.0°
PB	O3A	PA	O2A	71.5°	60.0°
PB	O3A	PA	O5'	178.9°	179.9°
O1A	PA	O2A	O3A	164.3°	120.0°
O1A	PA	O2A	O5'	89.9°	120.0°
O1A	PA	O3A	O5'	85.4°	120.0°
O1A	PA	O2A	HOA2	180.0°	179.9°
O1A	PA	O5'	C5'	173.2°	60.0°
O2A	PA	O3A	O5'	109.6°	120.0°
O2A	PA	O5'	C5'	65.3°	60.0°
O3A	PA	O2A	HOA2	15.8°	60.1°
O3A	PA	O5'	C5'	56.2°	180.0°
O5'	PA	O2A	HOA2	90.1°	60.0°
PA	O5'	C5'	C4'	59.6°	180.0°
PA	O5'	C5'	H5'1	175.1°	60.1°
PA	O5'	C5'	H5'2	65.6°	60.0°
O5'	C5'	C4'	H5'1	125.2°	120.0°
O5'	C5'	C4'	H5'2	125.3°	120.0°
O5'	C5'	H5'1	H5'2	102.3°	120.1°
O5'	C5'	C4'	O4'	64.4°	61.5°
O5'	C5'	C4'	C3'	173.5°	176.9°
O5'	C5'	C4'	H4'	60.5°	60.8°
C4'	C5'	H5'1	H5'2	102.3°	119.9°
C5'	C4'	O4'	C3'	91.0°	119.0°
C5'	C4'	O4'	H4'	135.8°	122.2°
C5'	C4'	C3'	H4'	132.3°	122.3°
C5'	C4'	O4'	C1'	105.4°	159.5°
C5'	C4'	C3'	O3'	107.4°	98.3°
C5'	C4'	C3'	C2'	123.8°	142.9°
C5'	C4'	C3'	H3'	3.6°	24.2°
H5'1	C5'	C4'	O4'	60.8°	178.5°
H5'1	C5'	C4'	C3'	48.3°	63.1°
H5'1	C5'	C4'	H4'	174.3°	59.2°
H5'2	C5'	C4'	O4'	170.3°	58.6°
H5'2	C5'	C4'	C3'	61.3°	56.8°
H5'2	C5'	C4'	H4'	64.8°	179.2°
O4'	C4'	C3'	H4'	128.4°	118.8°
O4'	C4'	C3'	O3'	153.3°	142.8°
O4'	C4'	C3'	C2'	24.5°	24.1°
O4'	C4'	C3'	H3'	95.7°	94.7°
C4'	O4'	C1'	C2'	2.0°	40.4°
C4'	O4'	C1'	N9	119.4°	159.4°
C4'	O4'	C1'	H1'	121.5°	78.4°
C3'	C4'	O4'	C1'	14.4°	40.5°
C4'	C3'	O3'	C2'	122.1°	114.8°
C4'	C3'	O3'	H3'	119.3°	122.5°
C4'	C3'	C2'	H3'	120.8°	118.7°
C4'	C3'	O3'	HO3'	179.9°	180.0°
C4'	C3'	C2'	O2'	93.1°	118.8°
C4'	C3'	C2'	C1'	24.7°	0.2°
C4'	C3'	C2'	H2'	146.7°	118.6°
H4'	C4'	O4'	C1'	118.9°	78.4°
H4'	C4'	C3'	O3'	24.9°	24.0°
H4'	C4'	C3'	C2'	103.9°	94.8°
H4'	C4'	C3'	H3'	135.9°	146.5°
O4'	C1'	C2'	C3'	16.9°	23.8°
O4'	C1'	C2'	O2'	99.8°	142.5°
O4'	C1'	C2'	N9	116.4°	119.0°
O4'	C1'	C2'	H1'	124.2°	118.9°
O4'	C1'	C2'	H2'	139.9°	94.7°
O4'	C1'	N9	H1'	124.2°	122.3°
O4'	C1'	N9	C8	25.0°	27.1°
O4'	C1'	N9	C4	154.1°	153.0°
O3'	C3'	C2'	H3'	110.9°	122.6°
O3'	C3'	C2'	O2'	35.2°	0.1°
O3'	C3'	C2'	C1'	153.0°	118.9°
O3'	C3'	C2'	H2'	85.0°	122.6°
C2'	C3'	O3'	HO3'	57.9°	65.3°
C3'	C2'	O2'	C1'	114.5°	114.7°
C3'	C2'	O2'	H2'	123.2°	122.6°
C3'	C2'	C1'	H2'	123.0°	118.5°
C3'	C2'	O2'	HO2'	180.0°	61.5°
C3'	C2'	C1'	N9	99.4°	142.8°
C3'	C2'	C1'	H1'	141.1°	95.1°
H3'	C3'	O3'	HO3'	60.7°	57.4°
H3'	C3'	C2'	O2'	146.1°	122.5°
H3'	C3'	C2'	C1'	96.1°	118.5°
H3'	C3'	C2'	H2'	25.9°	0.0°
O2'	C2'	C1'	H2'	120.3°	122.7°
O2'	C2'	C1'	N9	143.8°	98.5°
O2'	C2'	C1'	H1'	24.4°	23.7°
C1'	C2'	O2'	HO2'	65.4°	176.1°
C2'	C1'	N9	H1'	119.8°	122.1°
C2'	C1'	N9	C8	91.0°	88.5°
C2'	C1'	N9	C4	89.9°	91.4°
H2'	C2'	O2'	HO2'	56.9°	61.1°
H2'	C2'	C1'	N9	23.5°	24.3°
H2'	C2'	C1'	H1'	95.9°	146.4°
C1'	N9	C8	C4	179.3°	179.9°
C1'	N9	C8	N7	178.7°	180.0°
C1'	N9	C8	H8	1.3°	0.1°
C1'	N9	C4	C5	178.3°	179.7°
C1'	N9	C4	N3	1.1°	0.2°
H1'	C1'	N9	C8	149.2°	149.4°
H1'	C1'	N9	C4	29.9°	30.8°
N9	C8	N7	H8	180.0°	179.9°
N9	C8	N7	C5	0.1°	0.3°
C8	N9	C4	C5	1.0°	0.2°
C8	N9	C4	N3	179.6°	180.0°
C4	N9	C8	N7	0.6°	0.1°
C4	N9	C8	H8	179.5°	180.0°
N9	C4	C5	N7	1.1°	0.3°
N9	C4	C5	C6	178.1°	179.6°
N9	C4	C5	N3	179.4°	179.9°
N9	C4	N3	C2	178.9°	179.9°
C8	N7	C5	C6	178.4°	179.5°
C8	N7	C5	C4	0.8°	0.4°
H8	C8	N7	C5	179.9°	179.7°
N7	C5	C6	C4	179.1°	179.0°
N7	C5	C6	N6	1.1°	0.8°
N7	C5	C6	N1	179.8°	179.5°
N7	C5	C4	N3	179.4°	179.8°
C5	C6	N6	N1	179.2°	179.7°
C5	C6	N6	HN61	179.9°	179.7°
C5	C6	N6	HN62	54.7°	0.5°
C5	C6	N1	C2	0.3°	0.3°
C6	C5	C4	N3	1.3°	0.5°
C4	C5	C6	N6	178.0°	179.7°
C4	C5	C6	N1	1.2°	0.6°
C5	C4	N3	C2	0.4°	0.2°
C6	N6	HN61	HN62	125.3°	179.8°
N6	C6	N1	C2	178.9°	180.0°
N1	C6	N6	HN61	0.8°	0.0°
N1	C6	N6	HN62	126.1°	179.8°
C6	N1	C2	N3	0.7°	0.0°
C6	N1	C2	H2	179.4°	180.0°
N1	C2	N3	H2	179.9°	180.0°
N1	C2	N3	C4	0.6°	0.0°
H2	C2	N3	C4	179.4°	179.9°

Definition date:	1999-07-08
Last modified:	2011-06-04
Release status:	REL
Processing site:	EBI
Derived from:	1B0U