UX5

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N5	C15	sing	1.40Å	1.45Å
C15	C12	doub	1.39Å	1.32Å	Aromatic
C15	C14	sing	1.39Å	1.53Å	Aromatic
C12	C11	sing	1.38Å	1.52Å	Aromatic
C14	C13	doub	1.38Å	1.32Å	Aromatic
C13	C10	sing	1.38Å	1.52Å	Aromatic
C11	C10	doub	1.38Å	1.32Å	Aromatic
C10	C9	sing	1.51Å	1.52Å
C9	N4	sing	1.46Å	1.44Å
N4	C8	sing	1.35Å	1.43Å
O2	C8	doub	1.22Å	1.20Å
C8	C7	sing	1.47Å	1.52Å
C4	C7	sing	1.41Å	1.46Å
C4	N2	doub	1.31Å	1.41Å
C7	C2	doub	1.39Å	1.37Å
N2	C3	sing	1.34Å	1.33Å
C2	C1	sing	1.51Å	1.53Å
C2	N1	sing	1.35Å	1.34Å
C3	N1	sing	1.37Å	1.52Å
C3	C5	doub	1.39Å	1.41Å
N1	N3	sing	1.40Å	1.45Å
C5	C6	sing	1.40Å	1.40Å
N3	C6	sing	1.35Å	1.31Å
C6	O1	doub	1.22Å	1.38Å
N3	H6	sing	0.97Å	1.00Å
C4	H4	sing	1.08Å	1.08Å
C5	H16	sing	1.08Å	1.08Å
C13	H12	sing	1.08Å	1.08Å
C1	H2	sing	1.09Å	1.10Å
C1	H3	sing	1.09Å	1.10Å
C1	H1	sing	1.09Å	1.10Å
C11	H10	sing	1.08Å	1.08Å
C12	H11	sing	1.08Å	1.08Å
C14	H13	sing	1.08Å	1.08Å
C9	H9	sing	1.09Å	1.10Å
C9	H8	sing	1.09Å	1.10Å
N4	H7	sing	0.97Å	1.00Å
N5	H15	sing	0.97Å	1.00Å
N5	H14	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N5	C15	C12	119.7°	120.1°
N5	C15	C14	120.1°	120.0°
C15	N5	H15	109.5°	120.0°
C15	N5	H14	109.5°	120.1°
C12	C15	C14	120.1°	119.8°
C15	C12	C11	119.7°	119.9°
C15	C12	H11	120.2°	120.0°
C15	C14	C13	120.2°	119.9°
C15	C14	H13	119.9°	120.0°
C12	C11	C10	120.2°	120.1°
C12	C11	H10	119.9°	119.9°
C11	C12	H11	120.2°	120.1°
C14	C13	C10	119.6°	120.1°
C14	C13	H12	120.2°	119.9°
C13	C14	H13	119.9°	120.1°
C13	C10	C11	120.1°	120.1°
C13	C10	C9	121.5°	119.9°
C10	C13	H12	120.2°	120.0°
C11	C10	C9	118.3°	119.9°
C10	C11	H10	119.9°	120.0°
C10	C9	N4	113.4°	109.5°
C10	C9	H9	108.5°	109.5°
C10	C9	H8	108.5°	109.5°
C9	N4	C8	120.1°	120.0°
N4	C9	H9	108.5°	109.5°
N4	C9	H8	108.5°	109.5°
C9	N4	H7	120.0°	120.0°
N4	C8	O2	122.5°	120.0°
N4	C8	C7	116.4°	120.0°
C8	N4	H7	120.0°	120.0°
O2	C8	C7	121.1°	120.0°
C8	C7	C4	118.5°	120.5°
C8	C7	C2	120.9°	120.5°
C7	C4	N2	122.9°	119.9°
C4	C7	C2	120.5°	118.9°
C7	C4	H4	118.5°	120.1°
C4	N2	C3	114.5°	121.1°
N2	C4	H4	118.5°	120.0°
C7	C2	C1	123.2°	120.5°
C7	C2	N1	118.1°	119.0°
N2	C3	N1	123.5°	120.9°
N2	C3	C5	139.0°	131.7°
C1	C2	N1	118.7°	120.5°
C2	C1	H2	109.5°	109.5°
C2	C1	H3	109.5°	109.4°
C2	C1	H1	109.5°	109.5°
C2	N1	C3	120.4°	120.1°
C2	N1	N3	131.7°	131.8°
N1	C3	C5	97.5°	107.4°
C3	N1	N3	107.9°	108.0°
C3	C5	C6	118.0°	107.8°
C3	C5	H16	121.0°	126.1°
N1	N3	C6	111.8°	108.4°
N1	N3	H6	124.1°	125.8°
C5	C6	N3	104.9°	108.4°
C5	C6	O1	128.8°	125.8°
C6	C5	H16	121.0°	126.1°
N3	C6	O1	126.4°	125.8°
C6	N3	H6	124.1°	125.8°
H2	C1	H3	109.5°	109.5°
H2	C1	H1	109.5°	109.5°
H3	C1	H1	109.5°	109.4°
H9	C9	H8	109.5°	109.4°
H15	N5	H14	109.5°	119.9°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N5	C15	C12	C14	179.9°	179.8°
N5	C15	C12	C11	180.0°	180.0°
N5	C15	C14	C13	180.0°	180.0°
N5	C15	C12	H11	0.0°	0.2°
N5	C15	C14	H13	0.0°	0.3°
C15	N5	H15	H14	120.0°	180.0°
C15	C12	C11	H11	180.0°	179.8°
C12	C15	C14	C13	0.0°	0.2°
C15	C12	C11	C10	0.6°	0.1°
C15	C12	C11	H10	179.4°	180.0°
C12	C15	C14	H13	180.0°	179.9°
C12	C15	N5	H15	180.0°	0.0°
C12	C15	N5	H14	60.0°	180.0°
C14	C15	C12	C11	0.0°	0.2°
C15	C14	C13	H13	180.0°	179.7°
C15	C14	C13	C10	0.5°	0.0°
C15	C14	C13	H12	179.4°	179.9°
C14	C15	C12	H11	180.0°	180.0°
C14	C15	N5	H15	0.1°	179.8°
C14	C15	N5	H14	120.0°	0.2°
C12	C11	C10	C13	1.1°	0.3°
C12	C11	C10	H10	180.0°	179.9°
C12	C11	C10	C9	178.6°	180.0°
C14	C13	C10	H12	180.0°	179.9°
C14	C13	C10	C11	1.1°	0.3°
C14	C13	C10	C9	178.5°	180.0°
C13	C10	C11	C9	177.4°	179.7°
C13	C10	C9	N4	59.6°	90.1°
C13	C10	C11	H10	178.8°	179.7°
C10	C13	C14	H13	179.5°	179.7°
C13	C10	C9	H9	179.8°	149.9°
C13	C10	C9	H8	60.9°	30.0°
C11	C10	C9	N4	123.0°	90.3°
C11	C10	C13	H12	178.8°	179.8°
C10	C11	C12	H11	179.4°	179.7°
C11	C10	C9	H9	2.4°	29.7°
C11	C10	C9	H8	116.4°	149.7°
C10	C9	N4	H9	120.6°	120.0°
C10	C9	N4	H8	120.6°	120.0°
C10	C9	N4	C8	111.7°	180.0°
C9	C10	C13	H12	1.5°	0.1°
C9	C10	C11	H10	1.4°	0.1°
C10	C9	H9	H8	118.3°	120.0°
C10	C9	N4	H7	68.3°	0.1°
C9	N4	C8	H7	180.0°	179.9°
C9	N4	C8	O2	2.1°	0.1°
C9	N4	C8	C7	178.4°	179.9°
N4	C9	H9	H8	118.2°	120.0°
N4	C8	O2	C7	179.4°	180.0°
N4	C8	C7	C4	46.9°	104.1°
N4	C8	C7	C2	130.1°	75.7°
C8	N4	C9	H9	127.8°	60.0°
C8	N4	C9	H8	8.9°	59.9°
O2	C8	C7	C4	132.5°	75.9°
O2	C8	C7	C2	50.4°	104.3°
O2	C8	N4	H7	177.9°	180.0°
C8	C7	C4	C2	177.1°	179.9°
C8	C7	C4	N2	178.6°	180.0°
C8	C7	C2	C1	2.3°	0.3°
C8	C7	C2	N1	179.1°	179.8°
C8	C7	C4	H4	1.5°	0.1°
C7	C8	N4	H7	1.6°	0.0°
C7	C4	N2	H4	180.0°	179.9°
C7	C4	N2	C3	1.1°	0.1°
C4	C7	C2	C1	179.3°	179.9°
C4	C7	C2	N1	2.1°	0.1°
N2	C4	C7	C2	1.5°	0.1°
C4	N2	C3	N1	1.4°	0.1°
C4	N2	C3	C5	179.6°	179.4°
C7	C2	C1	N1	178.6°	180.0°
C7	C2	N1	C3	2.4°	0.3°
C7	C2	N1	N3	179.4°	180.0°
C2	C7	C4	H4	178.5°	180.0°
C7	C2	C1	H2	180.0°	5.3°
C7	C2	C1	H3	60.0°	125.3°
C7	C2	C1	H1	60.0°	114.7°
N2	C3	N1	C2	2.2°	0.3°
N2	C3	N1	C5	178.8°	179.5°
N2	C3	N1	N3	179.3°	179.9°
N2	C3	C5	C6	178.9°	179.9°
C3	N2	C4	H4	179.0°	180.0°
N2	C3	C5	H16	1.2°	0.4°
C1	C2	N1	C3	178.9°	179.7°
C1	C2	N1	N3	0.8°	0.0°
C2	C1	H2	H3	120.0°	120.0°
C2	C1	H2	H1	120.0°	120.1°
C2	C1	H3	H1	120.0°	120.0°
C2	N1	C3	N3	178.6°	179.8°
C2	N1	C3	C5	179.0°	179.8°
C2	N1	N3	C6	178.8°	179.9°
C2	N1	N3	H6	1.2°	0.1°
N1	C2	C1	H2	1.4°	174.7°
N1	C2	C1	H3	121.4°	54.7°
N1	C2	C1	H1	118.6°	65.3°
N1	C3	C5	C6	0.3°	0.4°
C3	N1	N3	C6	0.5°	0.3°
C3	N1	N3	H6	179.5°	179.8°
N1	C3	C5	H16	179.7°	179.8°
C5	C3	N1	N3	0.4°	0.4°
C3	C5	C6	H16	180.0°	179.7°
C3	C5	C6	N3	0.1°	0.2°
C3	C5	C6	O1	179.6°	179.7°
N1	N3	C6	C5	0.3°	0.0°
N1	N3	C6	H6	180.0°	179.9°
N1	N3	C6	O1	180.0°	180.0°
C5	C6	N3	O1	179.7°	180.0°
C5	C6	N3	H6	179.7°	179.9°
N3	C6	C5	H16	180.0°	180.0°
O1	C6	N3	H6	0.0°	0.1°
O1	C6	C5	H16	0.3°	0.0°
H12	C13	C14	H13	0.6°	0.2°
H2	C1	H3	H1	120.0°	120.0°
H10	C11	C12	H11	0.6°	0.2°
H9	C9	N4	H7	52.2°	120.1°
H8	C9	N4	H7	171.1°	120.0°

Release date:	2023-02-15
Definition date:	2021-03-25
Last modified:	2023-02-10
Release status:	REL
Processing site:	PDBE
Derived from:	7O02