E1U

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C2A	C2	sing	1.51Å	1.40Å
C2	N1	doub	1.32Å	1.39Å	Aromatic
C2	C3	sing	1.39Å	1.42Å	Aromatic
N1	C6	sing	1.32Å	1.32Å	Aromatic
O3	C3	sing	1.36Å	1.35Å
C3	C4	doub	1.40Å	1.41Å	Aromatic
C6	C5	doub	1.38Å	1.43Å	Aromatic
C4	C5	sing	1.40Å	1.45Å	Aromatic
C4	C4A	sing	1.48Å	1.47Å
C5	C5A	sing	1.51Å	1.44Å
OXT	C	doub	1.21Å	1.24Å
C5A	O4P	sing	1.43Å	1.47Å
C4A	N	doub	1.29Å	1.40Å
N	CA	sing	1.47Å	1.48Å
O4P	P	sing	1.61Å	1.55Å
C	CA	sing	1.51Å	1.57Å
C	O	sing	1.34Å	1.26Å
CA	CB	sing	1.53Å	1.54Å
O1P	P	doub	1.48Å	1.49Å
P	O2P	sing	1.61Å	1.52Å
P	O3P	sing	1.61Å	1.47Å
OG	CB	sing	1.43Å	1.45Å
OG	P2	sing	1.61Å	1.63Å
O6P	P2	doub	1.48Å	1.61Å
P2	O5P	sing	1.61Å	1.46Å
P2	O7P	sing	1.61Å	1.48Å
O7P	H1	sing	0.97Å	0.95Å
O5P	H2	sing	0.97Å	0.95Å
CB	H3	sing	1.09Å	1.10Å
CB	H4	sing	1.09Å	1.10Å
CA	H5	sing	1.09Å	1.10Å
O	H6	sing	0.97Å	0.95Å
C4A	H10	sing	1.08Å	1.08Å
O3	H11	sing	0.97Å	0.95Å
C2A	H12	sing	1.09Å	1.10Å
C2A	H13	sing	1.09Å	1.10Å
C2A	H14	sing	1.09Å	1.10Å
C6	H15	sing	1.08Å	1.08Å
C5A	H16	sing	1.09Å	1.10Å
C5A	H17	sing	1.09Å	1.10Å
O3P	H18	sing	0.97Å	0.95Å
O2P	H19	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2A	C2	N1	117.3°	119.6°
C2A	C2	C3	123.9°	119.6°
C2	C2A	H12	109.5°	109.5°
C2	C2A	H13	109.5°	109.5°
C2	C2A	H14	109.4°	109.4°
N1	C2	C3	118.7°	120.8°
C2	N1	C6	118.8°	122.2°
C2	C3	O3	115.8°	120.6°
C2	C3	C4	125.6°	118.8°
N1	C6	C5	124.3°	121.0°
N1	C6	H15	117.8°	119.5°
O3	C3	C4	118.5°	120.6°
C3	O3	H11	109.5°	113.9°
C3	C4	C5	112.5°	118.1°
C3	C4	C4A	125.1°	121.0°
C6	C5	C4	120.0°	119.0°
C6	C5	C5A	115.2°	120.5°
C5	C6	H15	117.8°	119.5°
C5	C4	C4A	122.4°	120.9°
C4	C5	C5A	124.8°	120.5°
C4	C4A	N	121.8°	120.0°
C4	C4A	H10	119.1°	120.0°
C5	C5A	O4P	116.6°	109.5°
C5	C5A	H16	107.7°	109.5°
C5	C5A	H17	107.7°	109.5°
OXT	C	CA	116.4°	120.0°
OXT	C	O	122.2°	120.0°
C5A	O4P	P	125.5°	123.0°
O4P	C5A	H16	107.7°	109.4°
O4P	C5A	H17	107.6°	109.5°
C4A	N	CA	140.7°	120.0°
N	C4A	H10	119.1°	120.1°
N	CA	C	108.8°	109.5°
N	CA	CB	108.0°	109.5°
N	CA	H5	111.4°	109.5°
O4P	P	O1P	102.2°	109.5°
O4P	P	O2P	109.4°	109.5°
O4P	P	O3P	107.9°	109.5°
CA	C	O	121.4°	120.0°
C	CA	CB	107.7°	109.5°
C	CA	H5	110.2°	109.5°
C	O	H6	109.5°	117.0°
CA	CB	OG	112.2°	109.4°
CA	CB	H3	108.8°	109.5°
CA	CB	H4	108.8°	109.5°
CB	CA	H5	110.7°	109.4°
O1P	P	O2P	107.2°	109.4°
O1P	P	O3P	112.6°	109.5°
O2P	P	O3P	116.6°	109.5°
P	O2P	H19	109.5°	114.0°
P	O3P	H18	109.5°	114.0°
CB	OG	P2	116.5°	123.0°
OG	CB	H3	108.8°	109.4°
OG	CB	H4	108.8°	109.5°
OG	P2	O6P	110.0°	109.4°
OG	P2	O5P	104.9°	109.5°
OG	P2	O7P	105.3°	109.5°
O6P	P2	O5P	108.4°	109.5°
O6P	P2	O7P	109.6°	109.5°
O5P	P2	O7P	118.3°	109.5°
P2	O5P	H2	109.5°	114.0°
P2	O7P	H1	109.5°	114.0°
H3	CB	H4	109.5°	109.5°
H12	C2A	H13	109.5°	109.4°
H12	C2A	H14	109.5°	109.5°
H13	C2A	H14	109.5°	109.5°
H16	C5A	H17	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2A	C2	N1	C3	177.3°	180.0°
C2A	C2	N1	C6	178.9°	180.0°
C2A	C2	C3	O3	1.4°	0.1°
C2A	C2	C3	C4	179.1°	180.0°
C2	C2A	H12	H13	120.0°	120.0°
C2	C2A	H12	H14	120.0°	120.0°
C2	C2A	H13	H14	120.0°	120.0°
N1	C2	C3	O3	178.5°	180.0°
N1	C2	C3	C4	2.1°	0.0°
C2	N1	C6	C5	0.6°	0.0°
N1	C2	C2A	H12	0.0°	90.0°
N1	C2	C2A	H13	120.0°	150.0°
N1	C2	C2A	H14	120.0°	30.0°
C2	N1	C6	H15	179.4°	180.0°
C3	C2	N1	C6	1.6°	0.0°
C2	C3	O3	C4	179.5°	179.9°
C2	C3	C4	C5	1.2°	0.0°
C2	C3	C4	C4A	179.5°	179.7°
C2	C3	O3	H11	180.0°	90.0°
C3	C2	C2A	H12	177.1°	90.0°
C3	C2	C2A	H13	62.9°	30.0°
C3	C2	C2A	H14	57.1°	150.0°
N1	C6	C5	H15	180.0°	180.0°
N1	C6	C5	C4	0.3°	0.0°
N1	C6	C5	C5A	179.2°	179.8°
O3	C3	C4	C5	179.4°	180.0°
O3	C3	C4	C4A	1.0°	0.2°
C3	C4	C5	C6	0.0°	0.0°
C3	C4	C5	C4A	178.4°	179.7°
C3	C4	C5	C5A	178.8°	179.8°
C3	C4	C4A	N	32.7°	0.3°
C3	C4	C4A	H10	147.3°	179.7°
C4	C3	O3	H11	0.5°	90.0°
C6	C5	C4	C5A	178.8°	179.8°
C6	C5	C4	C4A	178.4°	179.7°
C6	C5	C5A	O4P	126.5°	0.2°
C6	C5	C5A	H16	5.5°	119.7°
C6	C5	C5A	H17	112.5°	120.3°
C4	C5	C5A	O4P	54.6°	180.0°
C5	C4	C4A	N	145.5°	180.0°
C5	C4	C4A	H10	34.5°	0.0°
C4	C5	C6	H15	179.7°	180.0°
C4	C5	C5A	H16	175.7°	60.0°
C4	C5	C5A	H17	66.4°	60.0°
C4A	C4	C5	C5A	0.4°	0.1°
C4	C4A	N	H10	180.0°	180.0°
C4	C4A	N	CA	155.5°	180.0°
C5	C5A	O4P	H16	121.0°	120.0°
C5	C5A	O4P	H17	121.0°	120.1°
C5	C5A	O4P	P	145.0°	180.0°
C5A	C5	C6	H15	0.8°	0.2°
C5	C5A	H16	H17	116.8°	120.1°
OXT	C	CA	N	27.2°	0.1°
OXT	C	CA	O	178.0°	179.9°
OXT	C	CA	CB	144.0°	120.1°
OXT	C	CA	H5	95.2°	120.0°
OXT	C	O	H6	0.0°	0.1°
C5A	O4P	P	O1P	172.6°	55.0°
C5A	O4P	P	O2P	59.3°	64.9°
C5A	O4P	P	O3P	68.5°	175.0°
O4P	C5A	H16	H17	116.8°	120.0°
C4A	N	CA	C	165.6°	120.0°
C4A	N	CA	CB	49.0°	120.0°
C4A	N	CA	H5	72.8°	0.0°
N	CA	C	CB	116.8°	120.0°
N	CA	C	H5	122.4°	120.1°
N	CA	C	O	150.9°	180.0°
N	CA	CB	H5	122.2°	120.0°
N	CA	CB	OG	75.7°	65.0°
N	CA	CB	H3	163.9°	55.0°
N	CA	CB	H4	44.7°	175.0°
CA	N	C4A	H10	24.5°	0.0°
O4P	P	O1P	O2P	115.0°	120.0°
O4P	P	O1P	O3P	115.5°	120.0°
O4P	P	O2P	O3P	122.7°	120.0°
P	O4P	C5A	H16	94.0°	60.0°
P	O4P	C5A	H17	24.0°	59.9°
O4P	P	O3P	H18	112.1°	180.0°
O4P	P	O2P	H19	110.1°	60.0°
C	CA	CB	H5	120.5°	120.0°
C	CA	CB	OG	41.6°	55.0°
C	CA	CB	H3	78.8°	175.0°
C	CA	CB	H4	162.0°	65.0°
CA	C	O	H6	177.9°	180.0°
O	C	CA	CB	34.0°	60.0°
O	C	CA	H5	86.8°	59.9°
CA	CB	OG	H3	120.4°	120.0°
CA	CB	OG	H4	120.4°	120.0°
CA	CB	OG	P2	175.3°	180.0°
CA	CB	H3	H4	118.8°	120.0°
O1P	P	O2P	O3P	127.2°	120.0°
O1P	P	O3P	H18	0.0°	60.0°
O1P	P	O2P	H19	0.0°	180.0°
O2P	P	O3P	H18	124.4°	60.0°
O3P	P	O2P	H19	127.2°	59.9°
CB	OG	P2	O6P	150.0°	55.0°
CB	OG	P2	O5P	33.6°	175.0°
CB	OG	P2	O7P	92.0°	65.0°
OG	CB	H3	H4	118.8°	120.0°
OG	CB	CA	H5	162.1°	175.0°
OG	P2	O6P	O5P	114.2°	120.0°
OG	P2	O6P	O7P	115.4°	120.0°
OG	P2	O5P	O7P	117.0°	120.0°
OG	P2	O7P	H1	118.3°	60.0°
OG	P2	O5P	H2	117.5°	179.9°
P2	OG	CB	H3	54.9°	60.1°
P2	OG	CB	H4	64.3°	60.0°
O6P	P2	O5P	O7P	125.5°	120.0°
O6P	P2	O7P	H1	0.0°	180.0°
O6P	P2	O5P	H2	0.0°	59.9°
O5P	P2	O7P	H1	124.9°	60.0°
O7P	P2	O5P	H2	125.5°	60.0°
H3	CB	CA	H5	41.7°	65.1°
H4	CB	CA	H5	77.5°	55.0°
H12	C2A	H13	H14	120.0°	120.0°

Release date:	2020-09-23
Definition date:	2019-10-02
Last modified:	2020-09-18
Release status:	REL
Processing site:	PDBJ
Derived from:	6L0P