A12

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
PB	O1B	doub	1.48Å	1.50Å
PB	O2B	sing	1.61Å	1.49Å
PB	O3B	sing	1.61Å	1.49Å
PB	C3A	sing	1.82Å	1.76Å
O2B	HOB2	sing	0.97Å	0.95Å
O3B	HXT	sing	0.97Å	0.95Å
PA	O1A	doub	1.48Å	1.49Å
PA	O2A	sing	1.61Å	1.48Å
PA	C3A	sing	1.82Å	1.78Å
PA	O5'	sing	1.61Å	1.59Å
O2A	HOA2	sing	0.97Å	0.95Å
C3A	H3A1	sing	1.09Å	1.10Å
C3A	H3A2	sing	1.09Å	1.10Å
O5'	C5'	sing	1.43Å	1.41Å
C5'	C4'	sing	1.53Å	1.51Å
C5'	H5'1	sing	1.09Å	1.10Å
C5'	H5'2	sing	1.09Å	1.10Å
C4'	O4'	sing	1.44Å	1.46Å
C4'	C3'	sing	1.55Å	1.52Å
C4'	H4'	sing	1.09Å	1.10Å
O4'	C1'	sing	1.44Å	1.42Å
C3'	O3'	sing	1.43Å	1.43Å
C3'	C2'	sing	1.55Å	1.52Å
C3'	H3'	sing	1.09Å	1.10Å
O3'	HO3'	sing	0.97Å	0.95Å
C2'	O2'	sing	1.43Å	1.40Å
C2'	C1'	sing	1.54Å	1.54Å
C2'	H2'	sing	1.09Å	1.10Å
O2'	HO2'	sing	0.97Å	0.95Å
C1'	N9	sing	1.46Å	1.46Å
C1'	H1'	sing	1.09Å	1.10Å
N9	C8	sing	1.36Å	1.37Å	Aromatic
N9	C4	sing	1.37Å	1.38Å	Aromatic
C8	N7	doub	1.30Å	1.32Å	Aromatic
C8	H8	sing	1.08Å	1.08Å
N7	C5	sing	1.35Å	1.39Å	Aromatic
C5	C6	sing	1.41Å	1.40Å	Aromatic
C5	C4	doub	1.41Å	1.39Å	Aromatic
C6	N6	sing	1.38Å	1.33Å
C6	N1	doub	1.33Å	1.35Å	Aromatic
N6	HN61	sing	0.97Å	1.00Å
N6	HN62	sing	0.97Å	1.00Å
N1	C2	sing	1.32Å	1.34Å	Aromatic
C2	N3	doub	1.32Å	1.34Å	Aromatic
C2	H2	sing	1.08Å	1.08Å
N3	C4	sing	1.33Å	1.34Å	Aromatic

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1B	PB	O2B	110.6°	109.5°
O1B	PB	O3B	110.9°	109.4°
O1B	PB	C3A	110.7°	109.5°
O2B	PB	O3B	108.2°	109.4°
O2B	PB	C3A	107.8°	109.5°
PB	O2B	HOB2	109.5°	106.8°
O3B	PB	C3A	108.6°	109.5°
PB	O3B	HXT	109.5°	106.8°
PB	C3A	PA	115.0°	109.5°
PB	C3A	H3A1	106.4°	109.5°
PB	C3A	H3A2	107.7°	109.5°
O1A	PA	O2A	111.1°	109.4°
O1A	PA	C3A	109.5°	109.5°
O1A	PA	O5'	108.1°	109.5°
O2A	PA	C3A	109.3°	109.5°
O2A	PA	O5'	109.8°	109.5°
PA	O2A	HOA2	109.5°	106.8°
C3A	PA	O5'	109.0°	109.5°
PA	C3A	H3A1	106.4°	109.5°
PA	C3A	H3A2	107.7°	109.5°
PA	O5'	C5'	118.1°	106.8°
H3A1	C3A	H3A2	113.9°	109.4°
O5'	C5'	C4'	110.2°	109.5°
O5'	C5'	H5'1	109.1°	109.4°
O5'	C5'	H5'2	109.2°	109.4°
C4'	C5'	H5'1	109.1°	109.5°
C4'	C5'	H5'2	109.2°	109.5°
C5'	C4'	O4'	110.0°	110.4°
C5'	C4'	C3'	112.6°	110.4°
C5'	C4'	H4'	105.6°	110.3°
H5'1	C5'	H5'2	110.0°	109.5°
O4'	C4'	C3'	104.9°	104.8°
O4'	C4'	H4'	113.2°	110.4°
C4'	O4'	C1'	109.8°	105.3°
C3'	C4'	H4'	110.7°	110.4°
C4'	C3'	O3'	108.2°	110.5°
C4'	C3'	C2'	102.3°	104.1°
C4'	C3'	H3'	116.3°	110.5°
O4'	C1'	C2'	106.9°	104.9°
O4'	C1'	N9	108.4°	110.4°
O4'	C1'	H1'	113.3°	110.3°
O3'	C3'	C2'	113.7°	110.5°
O3'	C3'	H3'	105.5°	110.5°
C3'	O3'	HO3'	109.5°	106.8°
C2'	C3'	H3'	111.1°	110.6°
C3'	C2'	O2'	111.5°	110.5°
C3'	C2'	C1'	101.5°	104.0°
C3'	C2'	H2'	112.8°	110.5°
O2'	C2'	C1'	108.1°	110.8°
O2'	C2'	H2'	106.8°	110.5°
C2'	O2'	HO2'	109.5°	106.8°
C1'	C2'	H2'	116.0°	110.4°
C2'	C1'	N9	113.6°	110.4°
C2'	C1'	H1'	108.1°	110.3°
N9	C1'	H1'	106.6°	110.3°
C1'	N9	C8	127.1°	126.3°
C1'	N9	C4	127.2°	126.3°
C8	N9	C4	105.7°	107.4°
N9	C8	N7	113.9°	110.0°
N9	C8	H8	123.1°	125.0°
N9	C4	C5	105.8°	106.0°
N9	C4	N3	127.5°	134.9°
N7	C8	H8	123.1°	125.0°
C8	N7	C5	103.8°	109.4°
N7	C5	C6	132.0°	134.7°
N7	C5	C4	110.8°	107.1°
C6	C5	C4	117.2°	118.2°
C5	C6	N6	123.5°	120.8°
C5	C6	N1	117.8°	118.4°
C5	C4	N3	126.6°	119.0°
N6	C6	N1	118.7°	120.8°
C6	N6	HN61	124.8°	120.0°
C6	N6	HN62	110.4°	120.0°
C6	N1	C2	118.5°	121.2°
HN61	N6	HN62	124.8°	120.1°
N1	C2	N3	129.3°	122.5°
N1	C2	H2	115.3°	118.7°
N3	C2	H2	115.3°	118.8°
C2	N3	C4	110.5°	120.7°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1B	PB	O2B	O3B	121.6°	119.9°
O1B	PB	O2B	C3A	121.2°	120.1°
O1B	PB	O3B	C3A	121.8°	120.0°
O1B	PB	O2B	HOB2	69.0°	180.0°
O1B	PB	O3B	HXT	119.0°	60.0°
O1B	PB	C3A	PA	175.4°	60.0°
O1B	PB	C3A	H3A1	67.1°	180.0°
O1B	PB	C3A	H3A2	55.4°	60.0°
O2B	PB	O3B	C3A	116.8°	120.0°
O2B	PB	O3B	HXT	2.5°	59.9°
O2B	PB	C3A	PA	63.5°	60.0°
O2B	PB	C3A	H3A1	54.1°	60.0°
O2B	PB	C3A	H3A2	176.5°	180.0°
O3B	PB	O2B	HOB2	169.4°	60.1°
O3B	PB	C3A	PA	53.5°	180.0°
O3B	PB	C3A	H3A1	171.0°	60.0°
O3B	PB	C3A	H3A2	66.5°	60.0°
C3A	PB	O2B	HOB2	52.1°	59.9°
C3A	PB	O3B	HXT	119.2°	180.0°
PB	C3A	PA	O1A	52.8°	60.0°
PB	C3A	PA	O2A	174.8°	60.0°
PB	C3A	PA	H3A1	117.5°	120.0°
PB	C3A	PA	H3A2	120.0°	120.0°
PB	C3A	PA	O5'	65.2°	180.0°
PB	C3A	H3A1	H3A2	118.5°	120.0°
O1A	PA	O2A	C3A	121.0°	120.0°
O1A	PA	O2A	O5'	119.5°	120.0°
O1A	PA	C3A	O5'	118.1°	120.0°
O1A	PA	O2A	HOA2	17.8°	180.0°
O1A	PA	C3A	H3A1	64.7°	180.0°
O1A	PA	C3A	H3A2	172.8°	60.0°
O1A	PA	O5'	C5'	177.5°	55.0°
O2A	PA	C3A	O5'	120.0°	120.0°
O2A	PA	C3A	H3A1	57.3°	60.1°
O2A	PA	C3A	H3A2	65.2°	180.0°
O2A	PA	O5'	C5'	61.2°	65.0°
C3A	PA	O2A	HOA2	138.8°	60.0°
PA	C3A	H3A1	H3A2	118.5°	120.0°
C3A	PA	O5'	C5'	58.5°	175.0°
O5'	PA	O2A	HOA2	101.8°	60.0°
O5'	PA	C3A	H3A1	177.3°	59.9°
O5'	PA	C3A	H3A2	54.8°	60.0°
PA	O5'	C5'	C4'	154.2°	180.0°
PA	O5'	C5'	H5'1	34.5°	60.0°
PA	O5'	C5'	H5'2	85.8°	60.0°
O5'	C5'	C4'	H5'1	119.7°	120.0°
O5'	C5'	C4'	H5'2	120.0°	119.9°
O5'	C5'	H5'1	H5'2	119.8°	119.9°
O5'	C5'	C4'	O4'	69.4°	66.4°
O5'	C5'	C4'	C3'	174.0°	178.1°
O5'	C5'	C4'	H4'	53.1°	55.9°
C4'	C5'	H5'1	H5'2	119.8°	120.1°
C5'	C4'	O4'	C3'	121.3°	118.9°
C5'	C4'	O4'	H4'	117.9°	122.2°
C5'	C4'	C3'	H4'	117.9°	122.2°
C5'	C4'	O4'	C1'	139.1°	159.4°
C5'	C4'	C3'	O3'	85.7°	98.4°
C5'	C4'	C3'	C2'	154.0°	143.0°
C5'	C4'	C3'	H3'	32.8°	24.3°
H5'1	C5'	C4'	O4'	170.9°	173.6°
H5'1	C5'	C4'	C3'	54.3°	58.1°
H5'1	C5'	C4'	H4'	66.6°	64.1°
H5'2	C5'	C4'	O4'	50.6°	53.5°
H5'2	C5'	C4'	C3'	66.0°	61.9°
H5'2	C5'	C4'	H4'	173.1°	175.8°
O4'	C4'	C3'	H4'	122.4°	118.9°
O4'	C4'	C3'	O3'	154.7°	142.8°
O4'	C4'	C3'	C2'	34.4°	24.1°
O4'	C4'	C3'	H3'	86.9°	94.6°
C4'	O4'	C1'	C2'	6.3°	40.4°
C4'	O4'	C1'	N9	116.6°	159.4°
C4'	O4'	C1'	H1'	125.3°	78.4°
C3'	C4'	O4'	C1'	17.8°	40.5°
C4'	C3'	O3'	C2'	112.9°	114.7°
C4'	C3'	O3'	H3'	125.1°	122.6°
C4'	C3'	C2'	H3'	124.8°	118.7°
C4'	C3'	O3'	HO3'	24.8°	180.0°
C4'	C3'	C2'	O2'	78.0°	118.8°
C4'	C3'	C2'	C1'	37.0°	0.2°
C4'	C3'	C2'	H2'	161.8°	118.6°
H4'	C4'	O4'	C1'	103.0°	78.4°
H4'	C4'	C3'	O3'	32.2°	23.8°
H4'	C4'	C3'	C2'	88.0°	94.8°
H4'	C4'	C3'	H3'	150.7°	146.5°
O4'	C1'	C2'	C3'	27.4°	23.8°
O4'	C1'	C2'	O2'	90.0°	142.6°
O4'	C1'	C2'	N9	119.6°	118.9°
O4'	C1'	C2'	H1'	122.3°	118.8°
O4'	C1'	C2'	H2'	150.1°	94.7°
O4'	C1'	N9	H1'	122.3°	122.2°
O4'	C1'	N9	C8	15.8°	22.1°
O4'	C1'	N9	C4	164.3°	157.9°
O3'	C3'	C2'	H3'	118.9°	122.7°
O3'	C3'	C2'	O2'	38.4°	0.1°
O3'	C3'	C2'	C1'	153.3°	118.8°
O3'	C3'	C2'	H2'	81.8°	122.7°
C2'	C3'	O3'	HO3'	88.1°	65.4°
C3'	C2'	O2'	C1'	110.8°	114.7°
C3'	C2'	O2'	H2'	123.7°	122.6°
C3'	C2'	C1'	H2'	122.7°	118.5°
C3'	C2'	O2'	HO2'	83.6°	61.5°
C3'	C2'	C1'	N9	92.2°	142.7°
C3'	C2'	C1'	H1'	149.7°	95.0°
H3'	C3'	O3'	HO3'	149.9°	57.4°
H3'	C3'	C2'	O2'	157.3°	122.5°
H3'	C3'	C2'	C1'	87.8°	118.5°
H3'	C3'	C2'	H2'	37.1°	0.1°
O2'	C2'	C1'	H2'	119.9°	122.7°
O2'	C2'	C1'	N9	150.4°	98.5°
O2'	C2'	C1'	H1'	32.3°	23.7°
C1'	C2'	O2'	HO2'	27.2°	176.2°
C2'	C1'	N9	H1'	119.0°	122.2°
C2'	C1'	N9	C8	102.9°	93.4°
C2'	C1'	N9	C4	76.9°	86.5°
H2'	C2'	O2'	HO2'	152.7°	61.2°
H2'	C2'	C1'	N9	30.5°	24.2°
H2'	C2'	C1'	H1'	87.6°	146.4°
C1'	N9	C8	C4	179.9°	180.0°
C1'	N9	C8	N7	179.8°	180.0°
C1'	N9	C8	H8	0.2°	0.1°
C1'	N9	C4	C5	180.0°	179.7°
C1'	N9	C4	N3	0.3°	0.1°
H1'	C1'	N9	C8	138.1°	144.3°
H1'	C1'	N9	C4	42.0°	35.7°
N9	C8	N7	H8	180.0°	179.9°
N9	C8	N7	C5	0.3°	0.3°
C8	N9	C4	C5	0.1°	0.2°
C8	N9	C4	N3	179.8°	180.0°
C4	N9	C8	N7	0.1°	0.0°
C4	N9	C8	H8	179.9°	179.9°
N9	C4	C5	N7	0.3°	0.4°
N9	C4	C5	C6	179.1°	179.6°
N9	C4	C5	N3	179.6°	179.8°
N9	C4	N3	C2	179.8°	180.0°
C8	N7	C5	C6	178.9°	179.5°
C8	N7	C5	C4	0.4°	0.4°
H8	C8	N7	C5	179.7°	179.8°
N7	C5	C6	C4	179.3°	179.0°
N7	C5	C6	N6	0.9°	0.7°
N7	C5	C6	N1	179.4°	179.5°
N7	C5	C4	N3	179.9°	179.8°
C5	C6	N6	N1	179.7°	179.7°
C5	C6	N6	HN61	0.0°	179.7°
C5	C6	N6	HN62	180.0°	0.5°
C5	C6	N1	C2	1.3°	0.3°
C6	C5	C4	N3	0.5°	0.5°
C4	C5	C6	N6	178.4°	179.7°
C4	C5	C6	N1	1.3°	0.6°
C5	C4	N3	C2	0.2°	0.2°
C6	N6	HN61	HN62	179.9°	179.7°
N6	C6	N1	C2	178.4°	180.0°
N1	C6	N6	HN61	179.7°	0.0°
N1	C6	N6	HN62	0.3°	179.8°
C6	N1	C2	N3	0.5°	0.0°
C6	N1	C2	H2	179.5°	179.9°
N1	C2	N3	H2	180.0°	179.9°
N1	C2	N3	C4	0.3°	0.1°
H2	C2	N3	C4	179.7°	180.0°

Definition date:	2000-12-15
Last modified:	2020-06-17
Release status:	REL
Processing site:	RCSB
Derived from:	1HPU