2MQ

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C2	O19	doub	1.22Å	1.24Å
C2	N3	sing	1.35Å	1.33Å
C2	C1	sing	1.47Å	1.51Å
N3	C4	sing	1.37Å	1.32Å
C4	N20	sing	1.37Å	1.31Å
C4	N5	doub	1.31Å	1.30Å
N5	C6	sing	1.36Å	1.38Å
C6	C10	doub	1.39Å	1.40Å	Aromatic
C6	C1	sing	1.42Å	1.40Å	Aromatic
C10	C16	sing	1.51Å	1.56Å
C10	C9	sing	1.38Å	1.39Å	Aromatic
C16	C17	sing	1.53Å	1.58Å
C17	N18	sing	1.47Å	1.47Å
C9	N11	sing	1.38Å	1.35Å	Aromatic
C9	C8	doub	1.41Å	1.39Å	Aromatic
N11	C12	sing	1.37Å	1.29Å	Aromatic
C12	N14	sing	1.38Å	1.33Å
C12	N13	doub	1.31Å	1.31Å	Aromatic
N14	C15	sing	1.47Å	1.45Å
N13	C8	sing	1.36Å	1.35Å	Aromatic
C8	C7	sing	1.39Å	1.39Å	Aromatic
C7	C1	doub	1.39Å	1.40Å	Aromatic
N3	HN3	sing	0.97Å	1.00Å
N20	HN20	sing	0.97Å	1.00Å
N20	HN2A	sing	0.97Å	1.00Å
C16	H16	sing	1.09Å	1.10Å
C16	H16A	sing	1.09Å	1.10Å
C17	H17	sing	1.09Å	1.10Å
C17	H17A	sing	1.09Å	1.10Å
N18	HN18	sing	1.01Å	1.00Å
N18	HN1A	sing	1.01Å	1.00Å
N11	HN11	sing	0.97Å	1.00Å
N14	HN14	sing	0.97Å	1.00Å
C15	H15	sing	1.09Å	1.10Å
C15	H15A	sing	1.09Å	1.10Å
C15	H15B	sing	1.09Å	1.10Å
C7	H7	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O19	C2	N3	122.6°	121.2°
O19	C2	C1	118.1°	121.2°
N3	C2	C1	119.2°	117.6°
C2	N3	C4	121.1°	120.6°
C2	N3	HN3	119.5°	119.7°
C2	C1	C6	116.1°	118.1°
C2	C1	C7	121.5°	121.5°
N3	C4	N20	118.6°	118.5°
N3	C4	N5	122.2°	123.0°
C4	N3	HN3	119.5°	119.6°
N20	C4	N5	119.2°	118.5°
C4	N20	HN20	110.7°	120.0°
C4	N20	HN2A	124.6°	120.0°
C4	N5	C6	124.1°	121.6°
N5	C6	C10	122.8°	121.3°
N5	C6	C1	117.2°	119.0°
C10	C6	C1	119.4°	119.7°
C6	C10	C16	125.6°	120.1°
C6	C10	C9	117.8°	119.8°
C6	C1	C7	122.4°	120.4°
C16	C10	C9	116.6°	120.1°
C10	C16	C17	109.1°	109.5°
C10	C16	H16	109.6°	109.5°
C10	C16	H16A	109.7°	109.5°
C10	C9	N11	131.7°	133.3°
C10	C9	C8	122.1°	120.7°
C16	C17	N18	109.1°	109.5°
C17	C16	H16	109.6°	109.5°
C17	C16	H16A	109.7°	109.5°
C16	C17	H17	109.6°	109.5°
C16	C17	H17A	109.7°	109.4°
N18	C17	H17	109.6°	109.5°
N18	C17	H17A	109.6°	109.5°
C17	N18	HN18	109.5°	111.0°
C17	N18	HN1A	109.4°	111.0°
N11	C9	C8	105.6°	106.0°
C9	N11	C12	107.9°	107.3°
C9	N11	HN11	126.1°	126.3°
C9	C8	N13	106.9°	107.1°
C9	C8	C7	120.1°	120.0°
N11	C12	N14	126.2°	125.0°
N11	C12	N13	112.0°	110.0°
C12	N11	HN11	126.0°	126.3°
N14	C12	N13	121.2°	125.0°
C12	N14	C15	126.2°	120.0°
C12	N14	HN14	104.2°	120.0°
C12	N13	C8	106.8°	109.6°
C15	N14	HN14	104.2°	120.0°
N14	C15	H15	109.5°	109.4°
N14	C15	H15A	109.4°	109.4°
N14	C15	H15B	109.5°	109.5°
N13	C8	C7	132.0°	132.9°
C8	C7	C1	117.2°	119.5°
C8	C7	H7	121.4°	120.2°
C1	C7	H7	121.4°	120.3°
HN20	N20	HN2A	124.7°	120.0°
H16	C16	H16A	109.2°	109.5°
H17	C17	H17A	109.2°	109.5°
HN18	N18	HN1A	109.5°	111.0°
H15	C15	H15A	109.5°	109.5°
H15	C15	H15B	109.5°	109.5°
H15A	C15	H15B	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O19	C2	N3	C1	176.4°	179.7°
O19	C2	N3	C4	176.4°	180.0°
O19	C2	C1	C6	174.9°	179.7°
O19	C2	C1	C7	4.9°	0.5°
O19	C2	N3	HN3	3.6°	0.0°
C2	N3	C4	HN3	180.0°	180.0°
C2	N3	C4	N20	177.4°	180.0°
C2	N3	C4	N5	2.2°	0.0°
N3	C2	C1	C6	1.6°	0.5°
N3	C2	C1	C7	178.6°	179.8°
C1	C2	N3	C4	0.0°	0.3°
C2	C1	C6	N5	1.1°	0.5°
C2	C1	C6	C10	172.2°	179.8°
C2	C1	C6	C7	179.8°	179.2°
C2	C1	C7	C8	176.4°	179.7°
C1	C2	N3	HN3	180.0°	179.7°
C2	C1	C7	H7	3.6°	0.5°
N3	C4	N20	N5	179.6°	180.0°
N3	C4	N5	C6	2.8°	0.1°
N3	C4	N20	HN20	180.0°	0.0°
N3	C4	N20	HN2A	0.0°	179.9°
N20	C4	N5	C6	176.8°	180.0°
N20	C4	N3	HN3	2.6°	0.0°
C4	N20	HN20	HN2A	180.0°	179.9°
C4	N5	C6	C10	169.8°	179.9°
C4	N5	C6	C1	1.0°	0.2°
N5	C4	N3	HN3	177.7°	180.0°
N5	C4	N20	HN20	0.3°	180.0°
N5	C4	N20	HN2A	179.6°	0.0°
N5	C6	C10	C1	170.6°	179.7°
N5	C6	C10	C16	4.9°	0.0°
N5	C6	C10	C9	173.0°	180.0°
N5	C6	C1	C7	179.1°	179.8°
C6	C10	C16	C9	177.9°	180.0°
C6	C10	C16	C17	99.6°	90.0°
C6	C10	C9	N11	176.8°	180.0°
C6	C10	C9	C8	7.2°	0.0°
C10	C6	C1	C7	8.0°	0.5°
C6	C10	C16	H16	20.4°	150.0°
C6	C10	C16	H16A	140.2°	30.0°
C1	C6	C10	C16	175.5°	179.7°
C1	C6	C10	C9	2.4°	0.3°
C6	C1	C7	C8	3.9°	0.5°
C6	C1	C7	H7	176.2°	179.7°
C10	C16	C17	H16	120.0°	120.0°
C10	C16	C17	H16A	120.2°	120.0°
C10	C16	C17	N18	158.5°	180.0°
C16	C10	C9	N11	5.1°	0.0°
C16	C10	C9	C8	174.7°	180.0°
C10	C16	H16	H16A	120.2°	120.0°
C10	C16	C17	H17	38.5°	60.0°
C10	C16	C17	H17A	81.4°	60.0°
C9	C10	C16	C17	82.5°	90.0°
C10	C9	N11	C8	170.9°	180.0°
C10	C9	N11	C12	179.6°	180.0°
C10	C9	C8	N13	178.7°	180.0°
C10	C9	C8	C7	11.5°	0.0°
C9	C10	C16	H16	157.5°	30.0°
C9	C10	C16	H16A	37.7°	150.0°
C10	C9	N11	HN11	0.4°	0.0°
C16	C17	N18	H17	120.0°	120.0°
C16	C17	N18	H17A	120.1°	120.0°
C17	C16	H16	H16A	120.1°	120.0°
C16	C17	H17	H17A	120.1°	120.0°
C16	C17	N18	HN18	70.9°	56.0°
C16	C17	N18	HN1A	49.1°	180.0°
N18	C17	C16	H16	81.6°	60.0°
N18	C17	C16	H16A	38.3°	60.0°
N18	C17	H17	H17A	120.1°	120.0°
C17	N18	HN18	HN1A	120.0°	124.0°
C9	N11	C12	HN11	180.0°	180.0°
C9	N11	C12	N14	179.4°	179.9°
C9	N11	C12	N13	7.7°	0.0°
N11	C9	C8	N13	6.7°	0.0°
N11	C9	C8	C7	176.5°	180.0°
C8	C9	N11	C12	8.7°	0.0°
C9	C8	N13	C12	2.3°	0.0°
C9	C8	N13	C7	168.1°	180.0°
C9	C8	C7	C1	5.7°	0.2°
C8	C9	N11	HN11	171.3°	180.0°
C9	C8	C7	H7	174.3°	180.0°
N11	C12	N14	N13	171.0°	179.9°
N11	C12	N14	C15	4.7°	0.1°
N11	C12	N13	C8	3.3°	0.0°
N11	C12	N14	HN14	124.7°	180.0°
C12	N14	C15	HN14	120.0°	179.9°
N14	C12	N13	C8	175.5°	180.0°
N14	C12	N11	HN11	0.6°	0.0°
C12	N14	C15	H15	17.8°	60.1°
C12	N14	C15	H15A	137.8°	180.0°
C12	N14	C15	H15B	102.2°	60.0°
N13	C12	N14	C15	175.7°	180.0°
C12	N13	C8	C7	170.4°	180.0°
N13	C12	N11	HN11	172.3°	180.0°
N13	C12	N14	HN14	64.3°	0.1°
N14	C15	H15	H15A	120.0°	119.9°
N14	C15	H15	H15B	120.0°	120.0°
N14	C15	H15A	H15B	120.0°	120.0°
N13	C8	C7	C1	172.6°	179.7°
N13	C8	C7	H7	7.4°	0.0°
C8	C7	C1	H7	180.0°	179.8°
H16	C16	C17	H17	158.4°	180.0°
H16	C16	C17	H17A	38.6°	60.0°
H16A	C16	C17	H17	81.7°	60.0°
H16A	C16	C17	H17A	158.4°	180.0°
H17	C17	N18	HN18	169.1°	64.0°
H17	C17	N18	HN1A	70.9°	60.0°
H17A	C17	N18	HN18	49.2°	176.0°
H17A	C17	N18	HN1A	169.2°	60.0°
HN14	N14	C15	H15	102.2°	120.0°
HN14	N14	C15	H15A	17.8°	0.1°
HN14	N14	C15	H15B	137.8°	120.0°
H15	C15	H15A	H15B	120.0°	120.1°

Definition date:	2009-03-02
Last modified:	2011-06-04
Release status:	REL
Processing site:	PDBJ
Derived from:	3GC5