ZXN

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
CE2	CZ	doub	1.38Å	1.37Å	Aromatic
CE2	CD2	sing	1.38Å	1.38Å	Aromatic
CZ	CE1	sing	1.38Å	1.37Å	Aromatic
CD2	CG	doub	1.39Å	1.39Å	Aromatic
C2A	C2	sing	1.51Å	1.49Å
CE1	CD1	doub	1.38Å	1.38Å	Aromatic
O3	C3	sing	1.36Å	1.36Å
CG	CD1	sing	1.39Å	1.39Å	Aromatic
CG	N'	sing	1.40Å	1.39Å
C2	C3	doub	1.38Å	1.39Å	Aromatic
C2	N1	sing	1.32Å	1.30Å	Aromatic
C3	C4	sing	1.41Å	1.44Å	Aromatic
N	N'	sing	1.40Å	1.37Å
N	C4A	doub	1.30Å	1.28Å
N1	C6	doub	1.32Å	1.34Å	Aromatic
C4A	C4	sing	1.47Å	1.45Å
C4	C5	doub	1.40Å	1.44Å	Aromatic
C6	C5	sing	1.38Å	1.38Å	Aromatic
C5	C5A	sing	1.51Å	1.50Å
C5A	O4P	sing	1.43Å	1.47Å
O4P	P	sing	1.61Å	1.63Å
O1P	P	doub	1.48Å	1.50Å
P	O2P	sing	1.61Å	1.52Å
P	O3P	sing	1.61Å	1.53Å
C6	H2	sing	1.08Å	1.08Å
C2A	H3	sing	1.09Å	1.10Å
C2A	H4	sing	1.09Å	1.10Å
C2A	H5	sing	1.09Å	1.10Å
O3	H6	sing	0.97Å	0.95Å
C4A	H7	sing	1.08Å	1.08Å
C5A	H9	sing	1.09Å	1.10Å
C5A	H10	sing	1.09Å	1.10Å
O2P	H11	sing	0.97Å	0.95Å
O3P	H12	sing	0.97Å	0.95Å
N'	H13	sing	0.97Å	1.00Å
CD2	H14	sing	1.08Å	1.08Å
CE2	H15	sing	1.08Å	1.08Å
CZ	H16	sing	1.08Å	1.08Å
CE1	H17	sing	1.08Å	1.08Å
CD1	H18	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
CZ	CE2	CD2	120.5°	120.1°
CE2	CZ	CE1	120.2°	120.1°
CZ	CE2	H15	119.7°	119.9°
CE2	CZ	H16	119.9°	119.9°
CE2	CD2	CG	119.5°	119.9°
CE2	CD2	H14	120.3°	120.1°
CD2	CE2	H15	119.8°	119.9°
CZ	CE1	CD1	120.2°	120.1°
CE1	CZ	H16	119.9°	120.0°
CZ	CE1	H17	119.9°	119.9°
CD2	CG	CD1	119.9°	119.9°
CD2	CG	N'	118.5°	120.1°
CG	CD2	H14	120.2°	120.0°
C2A	C2	C3	125.2°	119.6°
C2A	C2	N1	116.4°	119.6°
C2	C2A	H3	109.5°	109.5°
C2	C2A	H4	109.4°	109.5°
C2	C2A	H5	109.5°	109.4°
CE1	CD1	CG	119.7°	119.9°
CD1	CE1	H17	119.9°	119.9°
CE1	CD1	H18	120.1°	120.1°
O3	C3	C2	128.1°	120.6°
O3	C3	C4	111.9°	120.5°
C3	O3	H6	109.5°	114.0°
CD1	CG	N'	121.6°	120.0°
CG	CD1	H18	120.2°	120.1°
CG	N'	N	119.5°	119.9°
CG	N'	H13	120.3°	120.0°
C3	C2	N1	118.4°	120.8°
C2	C3	C4	120.0°	118.9°
C2	N1	C6	119.7°	122.2°
C3	C4	C4A	113.3°	120.9°
C3	C4	C5	122.5°	118.1°
N'	N	C4A	114.1°	120.0°
N	N'	H13	120.2°	120.1°
N	C4A	C4	124.6°	120.0°
N	C4A	H7	117.7°	120.0°
N1	C6	C5	132.1°	121.0°
N1	C6	H2	113.9°	119.5°
C4A	C4	C5	123.8°	121.0°
C4	C4A	H7	117.7°	120.0°
C4	C5	C6	107.2°	119.1°
C4	C5	C5A	145.1°	120.5°
C6	C5	C5A	107.7°	120.4°
C5	C6	H2	113.9°	119.5°
C5	C5A	O4P	108.4°	109.5°
C5	C5A	H9	109.7°	109.5°
C5	C5A	H10	109.7°	109.5°
C5A	O4P	P	140.1°	123.0°
O4P	C5A	H9	109.7°	109.5°
O4P	C5A	H10	109.7°	109.5°
O4P	P	O1P	103.4°	109.5°
O4P	P	O2P	109.7°	109.5°
O4P	P	O3P	105.9°	109.5°
O1P	P	O2P	110.3°	109.5°
O1P	P	O3P	115.1°	109.5°
O2P	P	O3P	111.9°	109.4°
P	O2P	H11	109.5°	114.0°
P	O3P	H12	109.5°	114.1°
H3	C2A	H4	109.5°	109.5°
H3	C2A	H5	109.5°	109.5°
H4	C2A	H5	109.5°	109.4°
H9	C5A	H10	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
CZ	CE2	CD2	H15	180.0°	179.9°
CE2	CZ	CE1	H16	180.0°	180.0°
CZ	CE2	CD2	CG	0.3°	0.0°
CE2	CZ	CE1	CD1	0.5°	0.1°
CZ	CE2	CD2	H14	179.7°	179.9°
CE2	CZ	CE1	H17	179.5°	180.0°
CD2	CE2	CZ	CE1	0.2°	0.1°
CE2	CD2	CG	H14	180.0°	180.0°
CE2	CD2	CG	CD1	0.8°	0.0°
CE2	CD2	CG	N'	179.1°	179.7°
CD2	CE2	CZ	H16	179.8°	180.0°
CZ	CE1	CD1	H17	180.0°	179.9°
CZ	CE1	CD1	CG	1.0°	0.0°
CE1	CZ	CE2	H15	179.9°	180.0°
CZ	CE1	CD1	H18	179.0°	179.8°
CD2	CG	CD1	CE1	1.2°	0.0°
CD2	CG	CD1	N'	179.9°	179.7°
CD2	CG	N'	N	6.4°	0.3°
CD2	CG	N'	H13	173.6°	179.7°
CG	CD2	CE2	H15	179.7°	180.0°
CD2	CG	CD1	H18	178.9°	179.7°
C2A	C2	C3	O3	1.9°	0.0°
C2A	C2	C3	N1	177.7°	179.7°
C2A	C2	C3	C4	178.2°	180.0°
C2A	C2	N1	C6	179.6°	179.7°
C2	C2A	H3	H4	120.0°	120.1°
C2	C2A	H3	H5	120.0°	120.0°
C2	C2A	H4	H5	120.0°	120.0°
CE1	CD1	CG	H18	180.0°	179.7°
CE1	CD1	CG	N'	178.8°	179.7°
CD1	CE1	CZ	H16	179.5°	180.0°
O3	C3	C2	C4	179.9°	179.9°
O3	C3	C2	N1	179.6°	179.7°
O3	C3	C4	C4A	4.5°	0.1°
O3	C3	C4	C5	178.1°	180.0°
CD1	CG	N'	N	173.6°	180.0°
CD1	CG	N'	H13	6.4°	0.0°
CD1	CG	CD2	H14	179.2°	180.0°
CG	CD1	CE1	H17	179.0°	180.0°
CG	N'	N	H13	180.0°	180.0°
CG	N'	N	C4A	108.9°	180.0°
N'	CG	CD2	H14	0.9°	0.3°
N'	CG	CD1	H18	1.2°	0.0°
C3	C2	N1	C6	1.7°	0.6°
C2	C3	C4	C4A	175.4°	180.0°
C2	C3	C4	C5	1.8°	0.1°
C3	C2	C2A	H3	177.7°	90.0°
C3	C2	C2A	H4	62.3°	149.9°
C3	C2	C2A	H5	57.7°	30.0°
C2	C3	O3	H6	180.0°	89.9°
N1	C2	C3	C4	0.6°	0.2°
C2	N1	C6	C5	0.6°	0.6°
C2	N1	C6	H2	179.4°	179.7°
N1	C2	C2A	H3	0.0°	89.7°
N1	C2	C2A	H4	120.0°	30.3°
N1	C2	C2A	H5	120.0°	150.3°
C3	C4	C4A	N	40.2°	0.1°
C3	C4	C4A	C5	173.4°	179.9°
C3	C4	C5	C6	2.6°	0.0°
C3	C4	C5	C5A	178.1°	179.9°
C4	C3	O3	H6	0.2°	90.0°
C3	C4	C4A	H7	139.8°	180.0°
N'	N	C4A	C4	177.9°	180.0°
N'	N	C4A	H7	2.2°	0.0°
N	C4A	C4	H7	180.0°	180.0°
N	C4A	C4	C5	146.4°	180.0°
C4A	N	N'	H13	71.1°	0.1°
N1	C6	C5	C4	1.6°	0.3°
N1	C6	C5	H2	180.0°	179.7°
N1	C6	C5	C5A	178.8°	179.7°
C4A	C4	C5	C6	175.4°	180.0°
C4A	C4	C5	C5A	9.1°	0.0°
C4	C5	C6	C5A	177.3°	180.0°
C4	C5	C5A	O4P	46.5°	180.0°
C4	C5	C6	H2	178.4°	180.0°
C5	C4	C4A	H7	33.6°	0.1°
C4	C5	C5A	H9	73.3°	60.0°
C4	C5	C5A	H10	166.4°	59.9°
C6	C5	C5A	O4P	128.9°	0.0°
C6	C5	C5A	H9	111.2°	120.0°
C6	C5	C5A	H10	9.1°	120.0°
C5	C5A	O4P	H9	119.8°	120.0°
C5	C5A	O4P	H10	119.8°	120.0°
C5	C5A	O4P	P	133.6°	180.0°
C5A	C5	C6	H2	1.1°	0.0°
C5	C5A	H9	H10	120.5°	120.0°
C5A	O4P	P	O1P	73.5°	55.0°
C5A	O4P	P	O2P	168.9°	175.0°
C5A	O4P	P	O3P	47.9°	65.0°
O4P	C5A	H9	H10	120.5°	120.0°
O4P	P	O1P	O2P	117.2°	120.0°
O4P	P	O1P	O3P	115.0°	120.0°
O4P	P	O2P	O3P	117.2°	119.9°
P	O4P	C5A	H9	13.8°	60.0°
P	O4P	C5A	H10	106.5°	60.0°
O4P	P	O2P	H11	113.3°	180.0°
O4P	P	O3P	H12	113.6°	60.0°
O1P	P	O2P	O3P	129.5°	120.0°
O1P	P	O2P	H11	0.0°	59.9°
O1P	P	O3P	H12	0.0°	180.0°
O2P	P	O3P	H12	127.0°	60.0°
O3P	P	O2P	H11	129.5°	60.1°
H3	C2A	H4	H5	120.0°	120.0°
H14	CD2	CE2	H15	0.3°	0.0°
H15	CE2	CZ	H16	0.2°	0.0°
H16	CZ	CE1	H17	0.5°	0.0°
H17	CE1	CD1	H18	0.9°	0.3°

Release date:	2023-10-25
Definition date:	2023-07-10
Last modified:	2023-12-06
Release status:	REL
Processing site:	PDBE
Derived from:	8PNY