M7L

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C2A	C2	sing	1.51Å	1.50Å
C2	N1	doub	1.32Å	1.33Å	Aromatic
C2	C3	sing	1.39Å	1.40Å	Aromatic
N1	C6	sing	1.32Å	1.34Å	Aromatic
O3	C3	sing	1.36Å	1.36Å
C3	C4	doub	1.39Å	1.41Å	Aromatic
C6	C5	doub	1.38Å	1.39Å	Aromatic
C4	C5	sing	1.39Å	1.41Å	Aromatic
C4	C4A	sing	1.51Å	1.53Å
C5	C5A	sing	1.51Å	1.49Å
OG	ND	sing	1.46Å	1.45Å
OG	CB	sing	1.43Å	1.44Å
C4A	N	sing	1.46Å	1.49Å
N	CA	doub	1.28Å	1.40Å
C5A	O4P	sing	1.43Å	1.46Å
O	C	doub	1.21Å	1.31Å
CA	CB	sing	1.51Å	1.51Å
CA	C	sing	1.48Å	1.44Å
C	OXT	sing	1.35Å	1.23Å
O4P	P	sing	1.61Å	1.60Å
P	O2P	sing	1.61Å	1.51Å
P	O3P	sing	1.61Å	1.53Å
P	O1P	doub	1.48Å	1.53Å
C6	H6	sing	1.08Å	1.08Å
C4A	H4A2	sing	1.09Å	1.10Å
C2A	H2A1	sing	1.09Å	1.10Å
C2A	H2A2	sing	1.09Å	1.10Å
C2A	H2A3	sing	1.09Å	1.10Å
O3	HO3	sing	0.97Å	0.95Å
C5A	H5A2	sing	1.09Å	1.10Å
C5A	H5A1	sing	1.09Å	1.10Å
O3P	H3P	sing	0.97Å	0.95Å
CB	HB2	sing	1.09Å	1.10Å
CB	HB1	sing	1.09Å	1.10Å
OXT	HXT	sing	0.97Å	0.95Å
ND	HD2	sing	1.01Å	1.00Å
ND	HD1	sing	1.01Å	1.00Å
O2P	H2P	sing	0.97Å	0.95Å
C4A	H4A1	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2A	C2	N1	117.4°	119.6°
C2A	C2	C3	121.7°	119.7°
C2	C2A	H2A1	109.5°	109.5°
C2	C2A	H2A2	109.5°	109.5°
C2	C2A	H2A3	109.5°	109.5°
N1	C2	C3	121.0°	120.7°
C2	N1	C6	119.5°	121.7°
C2	C3	O3	118.1°	120.4°
C2	C3	C4	120.6°	119.1°
N1	C6	C5	123.4°	120.9°
N1	C6	H6	118.3°	119.5°
O3	C3	C4	121.4°	120.5°
C3	O3	HO3	109.5°	113.9°
C3	C4	C5	116.7°	118.4°
C3	C4	C4A	122.1°	120.8°
C6	C5	C4	118.8°	119.2°
C6	C5	C5A	119.5°	120.4°
C5	C6	H6	118.3°	119.6°
C5	C4	C4A	121.2°	120.9°
C4	C5	C5A	121.6°	120.4°
C4	C4A	N	122.4°	109.5°
C4	C4A	H4A2	106.1°	109.5°
C4	C4A	H4A1	106.2°	109.5°
C5	C5A	O4P	108.8°	109.5°
C5	C5A	H5A2	109.7°	109.5°
C5	C5A	H5A1	109.6°	109.5°
ND	OG	CB	112.0°	113.9°
OG	ND	HD2	109.5°	111.0°
OG	ND	HD1	109.5°	111.0°
OG	CB	CA	111.2°	109.4°
OG	CB	HB2	109.0°	109.5°
OG	CB	HB1	109.0°	109.5°
C4A	N	CA	128.8°	120.0°
N	C4A	H4A2	106.2°	109.5°
N	C4A	H4A1	106.1°	109.5°
N	CA	CB	115.0°	120.0°
N	CA	C	130.0°	120.0°
C5A	O4P	P	118.2°	123.1°
O4P	C5A	H5A2	109.6°	109.4°
O4P	C5A	H5A1	109.6°	109.4°
O	C	CA	132.4°	120.0°
O	C	OXT	119.1°	120.0°
CB	CA	C	114.8°	120.0°
CA	CB	HB2	109.0°	109.5°
CA	CB	HB1	109.0°	109.4°
CA	C	OXT	108.5°	120.0°
C	OXT	HXT	109.5°	117.0°
O4P	P	O2P	105.1°	109.5°
O4P	P	O3P	106.9°	109.5°
O4P	P	O1P	102.7°	109.5°
O2P	P	O3P	115.0°	109.5°
O2P	P	O1P	113.2°	109.5°
P	O2P	H2P	109.5°	114.0°
O3P	P	O1P	112.7°	109.5°
P	O3P	H3P	109.5°	114.0°
H4A2	C4A	H4A1	109.5°	109.4°
H2A1	C2A	H2A2	109.5°	109.5°
H2A1	C2A	H2A3	109.4°	109.5°
H2A2	C2A	H2A3	109.4°	109.5°
H5A2	C5A	H5A1	109.5°	109.5°
HB2	CB	HB1	109.5°	109.5°
HD2	ND	HD1	109.4°	111.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2A	C2	N1	C3	179.2°	179.4°
C2A	C2	N1	C6	177.4°	180.0°
C2A	C2	C3	O3	1.7°	0.5°
C2A	C2	C3	C4	178.6°	179.7°
C2	C2A	H2A1	H2A2	120.0°	120.0°
C2	C2A	H2A1	H2A3	120.0°	120.0°
C2	C2A	H2A2	H2A3	120.0°	120.0°
N1	C2	C3	O3	177.5°	179.9°
N1	C2	C3	C4	2.2°	0.3°
C2	N1	C6	C5	3.3°	0.6°
C2	N1	C6	H6	176.7°	179.6°
N1	C2	C2A	H2A1	0.0°	90.0°
N1	C2	C2A	H2A2	120.0°	150.0°
N1	C2	C2A	H2A3	120.0°	30.0°
C3	C2	N1	C6	3.4°	0.6°
C2	C3	O3	C4	179.7°	179.8°
C2	C3	C4	C5	0.8°	0.0°
C2	C3	C4	C4A	179.6°	180.0°
C3	C2	C2A	H2A1	179.2°	90.6°
C3	C2	C2A	H2A2	59.2°	29.4°
C3	C2	C2A	H2A3	60.8°	149.4°
C2	C3	O3	HO3	180.0°	90.0°
N1	C6	C5	H6	180.0°	179.8°
N1	C6	C5	C4	2.0°	0.3°
N1	C6	C5	C5A	179.8°	179.8°
O3	C3	C4	C5	178.8°	179.8°
O3	C3	C4	C4A	0.0°	0.2°
C3	C4	C5	C6	0.7°	0.0°
C3	C4	C5	C4A	178.8°	180.0°
C3	C4	C5	C5A	178.9°	179.9°
C3	C4	C4A	N	119.7°	90.0°
C3	C4	C4A	H4A2	118.5°	30.0°
C4	C3	O3	HO3	0.4°	89.8°
C3	C4	C4A	H4A1	2.1°	150.0°
C6	C5	C4	C5A	178.2°	180.0°
C6	C5	C4	C4A	179.5°	180.0°
C6	C5	C5A	O4P	94.3°	0.0°
C6	C5	C5A	H5A2	145.8°	120.0°
C6	C5	C5A	H5A1	25.5°	120.0°
C5	C4	C4A	N	59.1°	90.0°
C4	C5	C5A	O4P	83.9°	180.0°
C4	C5	C6	H6	178.0°	180.0°
C5	C4	C4A	H4A2	62.7°	150.0°
C4	C5	C5A	H5A2	36.0°	60.0°
C4	C5	C5A	H5A1	156.2°	60.0°
C5	C4	C4A	H4A1	179.1°	30.0°
C4A	C4	C5	C5A	2.2°	0.1°
C4	C4A	N	H4A2	121.8°	120.0°
C4	C4A	N	H4A1	121.8°	120.0°
C4	C4A	N	CA	164.3°	117.3°
C4	C4A	H4A2	H4A1	114.2°	120.0°
C5	C5A	O4P	H5A2	119.9°	120.0°
C5	C5A	O4P	H5A1	119.9°	120.0°
C5	C5A	O4P	P	156.8°	180.0°
C5A	C5	C6	H6	0.3°	0.0°
C5	C5A	H5A2	H5A1	120.3°	120.0°
ND	OG	CB	CA	163.8°	180.0°
ND	OG	CB	HB2	43.6°	60.0°
ND	OG	CB	HB1	75.9°	60.1°
OG	ND	HD2	HD1	120.0°	123.9°
OG	CB	CA	N	50.2°	175.0°
OG	CB	CA	HB2	120.3°	120.0°
OG	CB	CA	HB1	120.2°	120.0°
OG	CB	CA	C	126.4°	5.0°
OG	CB	HB2	HB1	119.2°	120.1°
CB	OG	ND	HD2	180.0°	56.1°
CB	OG	ND	HD1	60.0°	180.0°
C4A	N	CA	CB	16.7°	5.7°
C4A	N	CA	C	167.3°	174.3°
N	C4A	H4A2	H4A1	114.2°	120.0°
N	CA	C	O	26.3°	180.0°
N	CA	CB	C	176.6°	180.0°
N	CA	C	OXT	152.7°	0.0°
CA	N	C4A	H4A2	74.0°	2.7°
N	CA	CB	HB2	70.1°	54.9°
N	CA	CB	HB1	170.5°	65.1°
CA	N	C4A	H4A1	42.5°	122.7°
C5A	O4P	P	O2P	60.7°	175.0°
C5A	O4P	P	O3P	62.0°	65.0°
C5A	O4P	P	O1P	179.3°	55.0°
O4P	C5A	H5A2	H5A1	120.3°	120.0°
O	C	CA	CB	149.6°	0.0°
O	C	CA	OXT	179.0°	180.0°
O	C	OXT	HXT	0.0°	0.0°
CB	CA	C	OXT	31.4°	180.0°
CA	CB	HB2	HB1	119.2°	120.0°
C	CA	CB	HB2	113.3°	125.1°
C	CA	CB	HB1	6.1°	115.0°
CA	C	OXT	HXT	179.1°	180.0°
O4P	P	O2P	O3P	117.3°	120.0°
O4P	P	O2P	O1P	111.3°	120.0°
O4P	P	O3P	O1P	112.0°	120.0°
P	O4P	C5A	H5A2	36.9°	60.0°
P	O4P	C5A	H5A1	83.4°	60.0°
O4P	P	O3P	H3P	112.1°	60.1°
O4P	P	O2P	H2P	111.3°	180.0°
O2P	P	O3P	O1P	131.7°	120.0°
O2P	P	O3P	H3P	131.7°	60.0°
O3P	P	O2P	H2P	131.4°	60.0°
O1P	P	O3P	H3P	0.0°	180.0°
O1P	P	O2P	H2P	0.0°	60.0°
H2A1	C2A	H2A2	H2A3	119.9°	120.0°

Release date:	2022-11-16
Definition date:	2022-07-26
Last modified:	2022-11-11
Release status:	REL
Processing site:	PDBE
Derived from:	8AIE