LXR

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N1	C6	doub	1.32Å	1.41Å	Aromatic
N1	C9	sing	1.33Å	1.35Å	Aromatic
C6	N3	sing	1.32Å	1.42Å	Aromatic
N7	C9	sing	1.38Å	1.34Å
C9	C8	doub	1.40Å	1.35Å	Aromatic
N3	C7	doub	1.33Å	1.36Å	Aromatic
C8	C7	sing	1.41Å	1.35Å	Aromatic
C8	N4	sing	1.35Å	1.35Å	Aromatic
C7	N5	sing	1.37Å	1.35Å	Aromatic
N4	C10	doub	1.30Å	1.34Å	Aromatic
N5	C5	sing	1.47Å	1.50Å
N5	C10	sing	1.36Å	1.34Å	Aromatic
C5	O4	sing	1.44Å	1.48Å
C5	C4	sing	1.54Å	1.52Å
O6	C4	sing	1.43Å	1.43Å
O4	C2	sing	1.44Å	1.46Å
C4	C3	sing	1.55Å	1.55Å
C12	C11	doub	1.34Å	1.33Å	Aromatic
C12	N9	sing	1.34Å	1.33Å	Aromatic
C11	N6	sing	1.38Å	1.34Å	Aromatic
C2	C3	sing	1.54Å	1.53Å
C2	C1	sing	1.53Å	1.54Å
O3	C1	sing	1.43Å	1.42Å
O3	P1	sing	1.61Å	1.62Å
C3	O5	sing	1.43Å	1.45Å
O1	P1	doub	1.48Å	1.47Å
N9	C13	doub	1.31Å	1.33Å	Aromatic
N6	P1	sing	1.64Å	1.84Å
N6	C13	sing	1.36Å	1.34Å	Aromatic
P1	O2	sing	1.61Å	1.61Å
C13	N8	sing	1.39Å	1.33Å
C10	H1	sing	1.08Å	1.08Å
C11	H2	sing	1.08Å	1.08Å
C12	H3	sing	1.08Å	1.08Å
N8	H4	sing	0.97Å	1.00Å
N8	H5	sing	0.97Å	1.00Å
O2	H6	sing	0.97Å	0.95Å
C1	H7	sing	1.09Å	1.10Å
C1	H8	sing	1.09Å	1.10Å
C2	H9	sing	1.09Å	1.10Å
C3	H10	sing	1.09Å	1.10Å
O5	H11	sing	0.97Å	0.95Å
C4	H12	sing	1.09Å	1.10Å
O6	H13	sing	0.97Å	0.95Å
C5	H14	sing	1.09Å	1.10Å
C6	H15	sing	1.08Å	1.08Å
N7	H16	sing	0.97Å	1.00Å
N7	H17	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C6	N1	C9	118.3°	121.2°
N1	C6	N3	117.7°	122.4°
N1	C6	H15	121.2°	118.8°
N1	C9	N7	120.1°	120.8°
N1	C9	C8	123.0°	118.4°
C6	N3	C7	120.8°	120.7°
N3	C6	H15	121.1°	118.8°
N7	C9	C8	116.9°	120.8°
C9	N7	H16	109.5°	120.0°
C9	N7	H17	109.5°	120.0°
C9	C8	C7	120.4°	118.2°
C9	C8	N4	131.2°	134.7°
N3	C7	C8	119.9°	119.1°
N3	C7	N5	132.6°	134.9°
C7	C8	N4	108.3°	107.1°
C8	C7	N5	107.5°	106.0°
C8	N4	C10	107.4°	109.5°
C7	N5	C5	128.5°	126.2°
C7	N5	C10	107.6°	107.4°
N4	C10	N5	109.2°	110.0°
N4	C10	H1	125.4°	125.1°
C5	N5	C10	123.9°	126.3°
N5	C5	O4	114.9°	110.3°
N5	C5	C4	108.9°	110.4°
N5	C5	H14	108.8°	110.4°
N5	C10	H1	125.4°	125.0°
O4	C5	C4	106.6°	104.8°
C5	O4	C2	107.0°	105.2°
O4	C5	H14	109.0°	110.4°
C5	C4	O6	106.5°	110.6°
C5	C4	C3	105.3°	104.1°
C5	C4	H12	109.6°	110.5°
C4	C5	H14	108.4°	110.4°
O6	C4	C3	114.9°	110.5°
O6	C4	H12	111.0°	110.5°
C4	O6	H13	109.5°	114.0°
O4	C2	C3	104.5°	104.8°
O4	C2	C1	114.3°	110.4°
O4	C2	H9	110.8°	110.5°
C4	C3	C2	104.4°	104.0°
C4	C3	O5	114.1°	110.5°
C4	C3	H10	108.8°	110.7°
C3	C4	H12	109.2°	110.5°
C11	C12	N9	107.8°	108.3°
C12	C11	N6	110.1°	107.0°
C12	C11	H2	125.0°	126.6°
C11	C12	H3	126.1°	125.8°
C12	N9	C13	106.8°	109.3°
N9	C12	H3	126.1°	125.9°
C11	N6	P1	121.6°	126.5°
C11	N6	C13	104.6°	107.0°
N6	C11	H2	124.9°	126.5°
C3	C2	C1	107.5°	110.4°
C2	C3	O5	110.1°	110.5°
C3	C2	H9	109.8°	110.4°
C2	C3	H10	109.1°	110.5°
C2	C1	O3	110.1°	109.5°
C2	C1	H7	109.3°	109.4°
C2	C1	H8	109.3°	109.5°
C1	C2	H9	109.8°	110.3°
C1	O3	P1	120.5°	123.0°
O3	C1	H7	109.3°	109.4°
O3	C1	H8	109.3°	109.5°
O3	P1	O1	103.4°	109.5°
O3	P1	N6	111.9°	109.4°
O3	P1	O2	100.5°	109.5°
O5	C3	H10	110.1°	110.5°
C3	O5	H11	109.5°	114.0°
O1	P1	N6	119.8°	109.5°
O1	P1	O2	107.6°	109.5°
N9	C13	N6	110.6°	108.4°
N9	C13	N8	122.8°	125.8°
P1	N6	C13	133.7°	126.4°
N6	P1	O2	111.7°	109.5°
N6	C13	N8	126.5°	125.8°
P1	O2	H6	109.5°	114.0°
C13	N8	H4	109.5°	120.0°
C13	N8	H5	109.5°	120.0°
H4	N8	H5	109.5°	120.0°
H7	C1	H8	109.5°	109.5°
H16	N7	H17	109.4°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N1	C6	N3	H15	180.0°	180.0°
C6	N1	C9	N7	179.5°	180.0°
C6	N1	C9	C8	0.0°	0.0°
N1	C6	N3	C7	0.3°	0.0°
C9	N1	C6	N3	0.6°	0.0°
N1	C9	N7	C8	179.5°	180.0°
N1	C9	C8	C7	0.8°	0.0°
N1	C9	C8	N4	179.8°	180.0°
C9	N1	C6	H15	179.4°	180.0°
N1	C9	N7	H16	0.0°	0.0°
N1	C9	N7	H17	120.0°	180.0°
C6	N3	C7	C8	0.5°	0.0°
C6	N3	C7	N5	179.8°	180.0°
N7	C9	C8	C7	179.7°	180.0°
N7	C9	C8	N4	0.6°	0.0°
C9	N7	H16	H17	120.0°	180.0°
C9	C8	C7	N3	1.0°	0.0°
C9	C8	C7	N4	179.2°	180.0°
C9	C8	C7	N5	179.5°	180.0°
C9	C8	N4	C10	179.5°	179.9°
C8	C9	N7	H16	179.6°	180.0°
C8	C9	N7	H17	60.4°	0.0°
N3	C7	C8	N5	179.5°	180.0°
N3	C7	C8	N4	179.7°	180.0°
N3	C7	N5	C5	0.7°	0.1°
N3	C7	N5	C10	179.4°	179.9°
C7	N3	C6	H15	179.7°	180.0°
C7	C8	N4	C10	0.4°	0.1°
C8	C7	N5	C5	180.0°	179.9°
C8	C7	N5	C10	0.0°	0.1°
N4	C8	C7	N5	0.2°	0.0°
C8	N4	C10	N5	0.4°	0.2°
C8	N4	C10	H1	179.6°	180.0°
C7	N5	C10	N4	0.3°	0.2°
C7	N5	C5	C10	180.0°	180.0°
C7	N5	C5	O4	171.9°	156.5°
C7	N5	C5	C4	52.4°	88.2°
C7	N5	C10	H1	179.7°	180.0°
C7	N5	C5	H14	65.6°	34.2°
N4	C10	N5	C5	179.7°	179.8°
N4	C10	N5	H1	180.0°	179.8°
N5	C5	O4	C4	120.7°	118.8°
N5	C5	O4	H14	122.4°	122.3°
N5	C5	C4	H14	118.2°	122.3°
N5	C5	C4	O6	105.1°	98.5°
N5	C5	O4	C2	148.3°	159.4°
N5	C5	C4	C3	132.5°	142.8°
C5	N5	C10	H1	0.3°	0.0°
N5	C5	C4	H12	15.1°	24.1°
C10	N5	C5	O4	8.1°	23.5°
C10	N5	C5	C4	127.6°	91.8°
C10	N5	C5	H14	114.4°	145.8°
O4	C5	C4	H14	117.3°	118.9°
O4	C5	C4	O6	130.4°	142.7°
O4	C5	C4	C3	8.0°	24.0°
C5	O4	C2	C3	36.0°	40.6°
C5	O4	C2	C1	153.2°	159.4°
C5	O4	C2	H9	82.2°	78.4°
O4	C5	C4	H12	109.4°	94.7°
C5	C4	O6	C3	116.2°	114.7°
C5	C4	O6	H12	119.3°	122.7°
C4	C5	O4	C2	27.6°	40.5°
C5	C4	C3	H12	117.7°	118.7°
C5	C4	C3	C2	13.2°	0.0°
C5	C4	C3	O5	133.5°	118.6°
C5	C4	C3	H10	103.1°	118.7°
C5	C4	O6	H13	180.0°	176.2°
O6	C4	C3	H12	125.4°	122.6°
O6	C4	C3	C2	103.6°	118.8°
O6	C4	C3	O5	16.7°	0.2°
O6	C4	C3	H10	140.0°	122.5°
O6	C4	C5	H14	13.1°	23.8°
O4	C2	C3	C4	29.9°	24.0°
O4	C2	C3	C1	121.8°	118.8°
O4	C2	C3	H9	118.8°	119.0°
O4	C2	C1	H9	125.1°	122.3°
O4	C2	C1	O3	50.7°	69.6°
O4	C2	C3	O5	152.8°	142.6°
O4	C2	C1	H7	170.7°	50.4°
O4	C2	C1	H8	69.4°	170.4°
O4	C2	C3	H10	86.3°	94.8°
C2	O4	C5	H14	89.3°	78.3°
C4	C3	C2	O5	122.9°	118.6°
C4	C3	C2	H10	116.1°	118.8°
C4	C3	C2	C1	151.7°	142.8°
C4	C3	O5	H10	122.6°	122.8°
C4	C3	C2	H9	89.0°	95.0°
C4	C3	O5	H11	180.0°	65.4°
C3	C4	O6	H13	63.8°	61.5°
C3	C4	C5	H14	109.3°	94.9°
C11	C12	N9	H3	180.0°	179.9°
C12	C11	N6	H2	180.0°	180.0°
C11	C12	N9	C13	0.3°	0.1°
C12	C11	N6	P1	179.5°	180.0°
C12	C11	N6	C13	0.6°	0.2°
N9	C12	C11	N6	0.6°	0.0°
C12	N9	C13	N6	0.1°	0.3°
C12	N9	C13	N8	179.6°	180.0°
N9	C12	C11	H2	179.4°	180.0°
C11	N6	P1	O3	108.7°	30.0°
C11	N6	P1	O1	12.5°	150.0°
C11	N6	C13	N9	0.4°	0.3°
C11	N6	P1	C13	178.6°	179.8°
C11	N6	P1	O2	139.5°	90.0°
C11	N6	C13	N8	179.9°	180.0°
N6	C11	C12	H3	179.5°	180.0°
C3	C2	C1	H9	119.4°	122.3°
C3	C2	C1	O3	166.1°	175.0°
C2	C3	O5	H10	120.3°	122.6°
C3	C2	C1	H7	73.8°	65.0°
C3	C2	C1	H8	46.0°	55.0°
C2	C3	O5	H11	63.0°	180.0°
C2	C3	C4	H12	130.9°	118.7°
C2	C1	O3	H7	120.1°	120.0°
C2	C1	O3	H8	120.1°	120.1°
C2	C1	O3	P1	121.5°	180.0°
C1	C2	C3	O5	85.4°	98.6°
C2	C1	H7	H8	119.8°	120.0°
C1	C2	C3	H10	35.5°	24.0°
C1	O3	P1	O1	162.4°	55.0°
C1	O3	P1	N6	67.3°	175.0°
C1	O3	P1	O2	51.3°	65.1°
O3	C1	H7	H8	119.7°	120.0°
O3	C1	C2	H9	74.5°	52.7°
O3	P1	O1	N6	125.4°	119.9°
O3	P1	O1	O2	105.7°	120.0°
O3	P1	N6	O2	111.8°	120.0°
O3	P1	N6	C13	72.7°	149.8°
O3	P1	O2	H6	107.8°	60.0°
P1	O3	C1	H7	118.4°	60.0°
P1	O3	C1	H8	1.4°	59.9°
O5	C3	C2	H9	33.9°	23.6°
O5	C3	C4	H12	108.8°	122.7°
O1	P1	N6	O2	127.0°	120.0°
O1	P1	N6	C13	166.0°	29.8°
O1	P1	O2	H6	0.0°	180.0°
N9	C13	N6	P1	179.1°	179.9°
N9	C13	N6	N8	179.5°	179.7°
C13	N9	C12	H3	179.7°	179.8°
N9	C13	N8	H4	0.0°	0.1°
N9	C13	N8	H5	120.0°	179.9°
P1	N6	C13	N8	1.3°	0.2°
P1	N6	C11	H2	0.5°	0.0°
N6	P1	O2	H6	133.4°	60.0°
C13	N6	P1	O2	39.0°	90.2°
C13	N6	C11	H2	179.4°	179.8°
N6	C13	N8	H4	179.4°	179.7°
N6	C13	N8	H5	60.5°	0.3°
C13	N8	H4	H5	120.0°	180.0°
H2	C11	C12	H3	0.6°	0.0°
H7	C1	C2	H9	45.6°	172.7°
H8	C1	C2	H9	165.4°	67.3°
H9	C2	C3	H10	154.9°	146.2°
H10	C3	O5	H11	57.4°	57.4°
H10	C3	C4	H12	14.6°	0.0°
H12	C4	O6	H13	60.8°	61.2°
H12	C4	C5	H14	133.3°	146.5°

Release date:	2023-03-15
Definition date:	2022-03-09
Last modified:	2023-03-10
Release status:	REL
Processing site:	RCSB
Derived from:	7U8B