PYY

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
P	O1P	doub	1.48Å	1.49Å
P	O2P	sing	1.61Å	1.49Å
P	O5'	sing	1.61Å	1.60Å
P	O3P	sing	1.61Å	1.61Å
O2P	HOP2	sing	0.97Å	0.95Å
O5'	C5'	sing	1.43Å	1.44Å
C5'	C4'	sing	1.53Å	1.53Å
C5'	H5'1	sing	1.09Å	1.11Å
C5'	H5'2	sing	1.09Å	1.12Å
C4'	O4'	sing	1.44Å	1.46Å
C4'	C3'	sing	1.54Å	1.52Å
C4'	H4'	sing	1.09Å	1.12Å
O4'	C1'	sing	1.44Å	1.42Å
C1'	C1	sing	1.51Å	1.51Å
C1'	C2'	sing	1.54Å	1.52Å
C1'	H1'	sing	1.09Å	1.11Å
C1	C6	doub	1.38Å	1.39Å	Aromatic
C1	C2	sing	1.38Å	1.39Å	Aromatic
C6	C5	sing	1.38Å	1.37Å	Aromatic
C6	H6	sing	1.08Å	1.10Å
C2	C3	doub	1.38Å	1.39Å	Aromatic
C2	H2	sing	1.08Å	1.10Å
C3	C4	sing	1.38Å	1.38Å	Aromatic
C3	H3	sing	1.08Å	1.10Å
C4	C5	doub	1.38Å	1.40Å	Aromatic
C4	H4	sing	1.08Å	1.10Å
C5	H5	sing	1.08Å	1.10Å
C2'	O2'	sing	1.43Å	1.42Å
C2'	C3'	sing	1.55Å	1.52Å
C2'	H2'	sing	1.09Å	1.11Å
O2'	HO'2	sing	0.97Å	0.95Å
C3'	O3'	sing	1.43Å	1.41Å
C3'	H3'	sing	1.09Å	1.11Å
O3'	H3T	sing	0.97Å	0.95Å
O3P	HOP3	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1P	P	O2P	119.7°	109.4°
O1P	P	O5'	108.9°	109.5°
O1P	P	O3P	107.9°	109.5°
O2P	P	O5'	107.5°	109.4°
O2P	P	O3P	107.1°	109.5°
P	O2P	HOP2	119.7°	106.8°
O5'	P	O3P	104.7°	109.5°
P	O5'	C5'	120.9°	106.8°
P	O3P	HOP3	107.9°	106.9°
O5'	C5'	C4'	111.8°	109.5°
O5'	C5'	H5'1	111.4°	109.5°
O5'	C5'	H5'2	111.3°	109.5°
C4'	C5'	H5'1	111.4°	109.5°
C4'	C5'	H5'2	111.4°	109.4°
C5'	C4'	O4'	112.2°	110.4°
C5'	C4'	C3'	118.9°	110.7°
C5'	C4'	H4'	98.8°	110.3°
H5'1	C5'	H5'2	98.9°	109.4°
O4'	C4'	C3'	103.3°	104.8°
O4'	C4'	H4'	115.7°	110.4°
C4'	O4'	C1'	109.6°	105.4°
C3'	C4'	H4'	108.5°	110.2°
C4'	C3'	C2'	102.0°	104.1°
C4'	C3'	O3'	112.4°	110.5°
C4'	C3'	H3'	113.0°	110.5°
O4'	C1'	C1	113.0°	110.5°
O4'	C1'	C2'	107.3°	104.8°
O4'	C1'	H1'	107.9°	110.4°
C1	C1'	C2'	107.4°	110.4°
C1	C1'	H1'	107.9°	110.3°
C1'	C1	C6	120.4°	120.0°
C1'	C1	C2	120.1°	120.0°
C2'	C1'	H1'	113.5°	110.4°
C1'	C2'	O2'	110.0°	110.7°
C1'	C2'	C3'	101.1°	104.1°
C1'	C2'	H2'	116.0°	110.5°
C6	C1	C2	119.5°	120.0°
C1	C6	C5	120.6°	120.0°
C1	C6	H6	120.3°	120.0°
C1	C2	C3	120.5°	120.0°
C1	C2	H2	119.5°	120.0°
C5	C6	H6	119.0°	120.0°
C6	C5	C4	119.9°	120.0°
C6	C5	H5	118.8°	120.0°
C3	C2	H2	120.1°	120.0°
C2	C3	C4	119.7°	120.0°
C2	C3	H3	120.6°	120.0°
C4	C3	H3	119.8°	120.0°
C3	C4	C5	119.9°	120.0°
C3	C4	H4	119.3°	119.9°
C5	C4	H4	120.8°	120.1°
C4	C5	H5	121.2°	120.0°
O2'	C2'	C3'	113.7°	110.5°
O2'	C2'	H2'	104.0°	110.4°
C2'	O2'	HO'2	110.0°	106.9°
C3'	C2'	H2'	112.4°	110.5°
C2'	C3'	O3'	110.9°	110.5°
C2'	C3'	H3'	114.4°	110.5°
O3'	C3'	H3'	104.4°	110.5°
C3'	O3'	H3T	112.4°	106.8°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1P	P	O2P	O5'	124.9°	120.0°
O1P	P	O2P	O3P	123.1°	120.1°
O1P	P	O5'	O3P	115.2°	120.1°
O1P	P	O2P	HOP2	179.9°	60.1°
O1P	P	O5'	C5'	52.0°	60.0°
O1P	P	O3P	HOP3	180.0°	180.0°
O2P	P	O5'	O3P	113.7°	120.0°
O2P	P	O5'	C5'	176.9°	180.0°
O2P	P	O3P	HOP3	49.9°	60.0°
O5'	P	O2P	HOP2	55.2°	179.9°
P	O5'	C5'	C4'	152.4°	179.9°
P	O5'	C5'	H5'1	82.3°	60.0°
P	O5'	C5'	H5'2	27.1°	60.0°
O5'	P	O3P	HOP3	64.1°	59.9°
O3P	P	O2P	HOP2	56.9°	60.0°
O3P	P	O5'	C5'	63.2°	60.1°
O5'	C5'	C4'	H5'1	125.3°	120.1°
O5'	C5'	C4'	H5'2	125.3°	120.0°
O5'	C5'	H5'1	H5'2	117.2°	120.0°
O5'	C5'	C4'	O4'	44.0°	61.4°
O5'	C5'	C4'	C3'	76.6°	176.9°
O5'	C5'	C4'	H4'	166.5°	60.8°
C4'	C5'	H5'1	H5'2	117.3°	119.9°
C5'	C4'	O4'	C3'	129.2°	119.2°
C5'	C4'	O4'	H4'	112.3°	122.2°
C5'	C4'	C3'	H4'	111.7°	122.2°
C5'	C4'	O4'	C1'	152.2°	159.5°
C5'	C4'	C3'	C2'	163.3°	142.8°
C5'	C4'	C3'	O3'	77.8°	98.5°
C5'	C4'	C3'	H3'	40.0°	24.2°
H5'1	C5'	C4'	O4'	169.4°	178.5°
H5'1	C5'	C4'	C3'	48.7°	63.0°
H5'1	C5'	C4'	H4'	68.1°	59.2°
H5'2	C5'	C4'	O4'	81.2°	58.6°
H5'2	C5'	C4'	C3'	158.2°	56.9°
H5'2	C5'	C4'	H4'	41.3°	179.2°
O4'	C4'	C3'	H4'	123.3°	118.8°
C4'	O4'	C1'	C1	116.1°	159.3°
C4'	O4'	C1'	C2'	2.1°	40.4°
C4'	O4'	C1'	H1'	124.7°	78.4°
O4'	C4'	C3'	C2'	38.3°	23.8°
O4'	C4'	C3'	O3'	157.2°	142.5°
O4'	C4'	C3'	H3'	85.0°	94.8°
C3'	C4'	O4'	C1'	22.9°	40.3°
C4'	C3'	C2'	C1'	38.7°	0.1°
C4'	C3'	C2'	O2'	79.1°	118.9°
C4'	C3'	C2'	O3'	119.9°	118.7°
C4'	C3'	C2'	H3'	122.3°	118.7°
C4'	C3'	C2'	H2'	163.1°	118.6°
C4'	C3'	O3'	H3'	122.8°	122.7°
C4'	C3'	O3'	H3T	180.0°	178.0°
H4'	C4'	O4'	C1'	95.5°	78.3°
H4'	C4'	C3'	C2'	85.0°	95.0°
H4'	C4'	C3'	O3'	33.9°	23.7°
H4'	C4'	C3'	H3'	151.7°	146.4°
O4'	C1'	C1	C2'	118.1°	115.4°
O4'	C1'	C1	H1'	119.2°	122.3°
O4'	C1'	C2'	H1'	119.1°	118.8°
O4'	C1'	C1	C6	3.4°	154.6°
O4'	C1'	C1	C2	176.8°	25.1°
O4'	C1'	C2'	O2'	94.7°	142.7°
O4'	C1'	C2'	C3'	25.8°	24.0°
O4'	C1'	C2'	H2'	147.7°	94.7°
C1	C1'	C2'	H1'	119.1°	122.2°
C1'	C1	C6	C2	179.8°	179.7°
C1'	C1	C6	C5	179.8°	180.0°
C1'	C1	C6	H6	0.2°	0.0°
C1'	C1	C2	C3	179.8°	179.8°
C1'	C1	C2	H2	0.2°	0.3°
C1	C1'	C2'	O2'	143.6°	98.3°
C1	C1'	C2'	C3'	95.9°	143.0°
C1	C1'	C2'	H2'	26.0°	24.3°
C2'	C1'	C1	C6	114.7°	90.0°
C2'	C1'	C1	C2	65.1°	90.3°
C1'	C2'	O2'	C3'	112.5°	114.8°
C1'	C2'	O2'	H2'	124.9°	122.6°
C1'	C2'	C3'	H2'	124.4°	118.7°
C1'	C2'	O2'	HO'2	179.9°	176.1°
C1'	C2'	C3'	O3'	158.6°	118.6°
C1'	C2'	C3'	H3'	83.7°	118.8°
H1'	C1'	C1	C6	122.6°	32.3°
H1'	C1'	C1	C2	57.6°	147.4°
H1'	C1'	C2'	O2'	24.5°	23.9°
H1'	C1'	C2'	C3'	144.9°	94.9°
H1'	C1'	C2'	H2'	93.2°	146.5°
C1	C6	C5	H6	180.0°	180.0°
C6	C1	C2	C3	0.4°	0.5°
C6	C1	C2	H2	179.7°	180.0°
C1	C6	C5	C4	0.1°	0.1°
C1	C6	C5	H5	179.9°	180.0°
C2	C1	C6	C5	0.4°	0.3°
C2	C1	C6	H6	179.6°	179.6°
C1	C2	C3	H2	180.0°	179.5°
C1	C2	C3	C4	0.1°	0.5°
C1	C2	C3	H3	180.0°	179.7°
C6	C5	C4	C3	0.2°	0.0°
C6	C5	C4	H5	180.0°	179.9°
C6	C5	C4	H4	179.8°	179.9°
H6	C6	C5	C4	179.9°	179.9°
H6	C6	C5	H5	0.1°	0.0°
C2	C3	C4	H3	180.0°	179.8°
C2	C3	C4	C5	0.2°	0.2°
C2	C3	C4	H4	179.8°	179.8°
H2	C2	C3	C4	180.0°	180.0°
H2	C2	C3	H3	0.0°	0.2°
C3	C4	C5	H4	180.0°	179.9°
C3	C4	C5	H5	179.8°	180.0°
H3	C3	C4	C5	179.8°	179.9°
H3	C3	C4	H4	0.2°	0.0°
H4	C4	C5	H5	0.2°	0.1°
O2'	C2'	C3'	H2'	117.8°	122.5°
O2'	C2'	C3'	O3'	40.7°	0.2°
O2'	C2'	C3'	H3'	158.5°	122.4°
C3'	C2'	O2'	HO'2	67.4°	61.4°
C2'	C3'	O3'	H3'	123.7°	122.6°
C2'	C3'	O3'	H3T	66.5°	63.3°
H2'	C2'	O2'	HO'2	55.2°	61.2°
H2'	C2'	C3'	O3'	77.1°	122.7°
H2'	C2'	C3'	H3'	40.7°	0.1°
H3'	C3'	O3'	H3T	57.2°	59.3°

Definition date:	2000-10-27
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	1G2J