A1HZ9

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O15	B12	sing	1.37Å	1.36Å
O6	C1	doub	1.21Å	1.21Å
C11	B12	sing	1.60Å	1.61Å
C11	C10	sing	1.53Å	1.54Å
O5	C1	sing	1.34Å	1.35Å
C1	C2	sing	1.51Å	1.50Å
B12	O14	sing	1.37Å	1.36Å
B12	O13	sing	1.37Å	1.38Å
C4	C10	sing	1.53Å	1.54Å
C4	C3	sing	1.53Å	1.56Å
C2	N7	sing	1.47Å	1.48Å
C2	C3	sing	1.53Å	1.55Å
C3	C8	sing	1.53Å	1.55Å
C8	N9	sing	1.47Å	1.48Å
C2	H1	sing	1.09Å	1.10Å
C3	H2	sing	1.09Å	1.10Å
O5	H3	sing	0.97Å	0.95Å
C8	H4	sing	1.09Å	1.10Å
C8	H5	sing	1.09Å	1.10Å
C10	H6	sing	1.09Å	1.10Å
C10	H7	sing	1.09Å	1.10Å
C11	H8	sing	1.09Å	1.10Å
C11	H9	sing	1.09Å	1.10Å
C4	H10	sing	1.09Å	1.10Å
C4	H11	sing	1.09Å	1.10Å
N7	H12	sing	1.01Å	1.00Å
N7	H13	sing	1.01Å	1.00Å
N9	H15	sing	1.01Å	1.00Å
N9	H16	sing	1.01Å	1.00Å
O13	H18	sing	0.97Å	0.95Å
O14	H19	sing	0.97Å	0.95Å
O15	H14	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O15	B12	C11	110.6°	109.5°
O15	B12	O14	103.4°	109.5°
O15	B12	O13	108.5°	109.5°
B12	O15	H14	109.5°	114.0°
O6	C1	O5	121.2°	120.0°
O6	C1	C2	120.3°	120.0°
B12	C11	C10	115.3°	109.5°
C11	B12	O14	110.7°	109.5°
C11	B12	O13	112.8°	109.4°
B12	C11	H8	108.0°	109.5°
B12	C11	H9	108.0°	109.4°
C11	C10	C4	111.0°	109.5°
C11	C10	H6	109.1°	109.5°
C11	C10	H7	109.1°	109.4°
C10	C11	H8	108.0°	109.4°
C10	C11	H9	108.0°	109.5°
O5	C1	C2	118.5°	119.9°
C1	O5	H3	109.5°	117.0°
C1	C2	N7	110.5°	109.4°
C1	C2	C3	111.3°	109.5°
C1	C2	H1	106.8°	109.5°
O14	B12	O13	110.5°	109.5°
B12	O14	H19	109.5°	113.9°
B12	O13	H18	109.5°	114.0°
C10	C4	C3	116.8°	109.5°
C4	C10	H6	109.1°	109.5°
C4	C10	H7	109.1°	109.5°
C10	C4	H10	107.6°	109.5°
C10	C4	H11	107.6°	109.5°
C4	C3	C2	111.9°	109.5°
C4	C3	C8	114.1°	109.5°
C4	C3	H2	106.1°	109.5°
C3	C4	H10	107.6°	109.5°
C3	C4	H11	107.6°	109.5°
N7	C2	C3	114.5°	109.5°
N7	C2	H1	107.0°	109.4°
C2	N7	H12	109.5°	111.0°
C2	N7	H13	109.5°	111.0°
C2	C3	C8	111.8°	109.5°
C3	C2	H1	106.2°	109.5°
C2	C3	H2	106.1°	109.5°
C3	C8	N9	117.3°	109.5°
C8	C3	H2	106.2°	109.5°
C3	C8	H4	107.5°	109.5°
C3	C8	H5	107.5°	109.5°
N9	C8	H4	107.5°	109.5°
N9	C8	H5	107.4°	109.5°
C8	N9	H15	109.5°	111.0°
C8	N9	H16	109.4°	111.0°
H4	C8	H5	109.5°	109.5°
H6	C10	H7	109.4°	109.5°
H8	C11	H9	109.4°	109.5°
H10	C4	H11	109.5°	109.4°
H12	N7	H13	109.5°	111.0°
H15	N9	H16	109.5°	111.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O15	B12	C11	O14	114.0°	120.0°
O15	B12	C11	O13	121.7°	120.0°
O15	B12	C11	C10	160.1°	180.0°
O15	B12	O14	O13	115.9°	120.0°
O15	B12	C11	H8	39.3°	60.0°
O15	B12	C11	H9	79.0°	60.0°
O15	B12	O13	H18	180.0°	60.0°
O15	B12	O14	H19	180.0°	60.0°
O6	C1	O5	C2	177.4°	179.7°
O6	C1	C2	N7	1.1°	20.3°
O6	C1	C2	C3	127.3°	99.7°
O6	C1	C2	H1	117.2°	140.3°
O6	C1	O5	H3	0.0°	0.3°
B12	C11	C10	H8	120.8°	120.0°
B12	C11	C10	H9	120.9°	120.0°
C11	B12	O14	O13	125.6°	120.0°
B12	C11	C10	C4	157.2°	180.0°
B12	C11	C10	H6	37.0°	59.9°
B12	C11	C10	H7	82.5°	60.0°
B12	C11	H8	H9	117.3°	120.0°
C11	B12	O13	H18	57.1°	60.0°
C11	B12	O14	H19	61.5°	60.0°
C11	B12	O15	H14	180.0°	180.0°
C10	C11	B12	O14	85.9°	60.0°
C10	C11	B12	O13	38.5°	60.0°
C11	C10	C4	H6	120.3°	120.1°
C11	C10	C4	H7	120.2°	119.9°
C11	C10	C4	C3	167.4°	174.4°
C11	C10	H6	H7	119.3°	119.9°
C10	C11	H8	H9	117.4°	120.0°
C11	C10	C4	H10	46.3°	65.6°
C11	C10	C4	H11	71.6°	54.4°
O5	C1	C2	N7	178.5°	160.0°
O5	C1	C2	C3	50.2°	80.0°
O5	C1	C2	H1	65.4°	40.1°
C1	C2	C3	C4	65.2°	180.0°
C1	C2	N7	C3	126.6°	120.0°
C1	C2	N7	H1	115.9°	120.0°
C1	C2	C3	H1	115.9°	120.1°
C1	C2	C3	C8	165.4°	60.0°
C1	C2	C3	H2	50.0°	60.0°
C2	C1	O5	H3	177.4°	180.0°
C1	C2	N7	H12	180.0°	60.0°
C1	C2	N7	H13	60.0°	176.1°
O14	B12	C11	H8	153.2°	60.0°
O14	B12	C11	H9	35.0°	180.0°
O14	B12	O13	H18	67.4°	180.0°
O14	B12	O15	H14	61.5°	60.0°
O13	B12	C11	H8	82.4°	180.0°
O13	B12	C11	H9	159.4°	60.0°
O13	B12	O14	H19	64.1°	180.0°
O13	B12	O15	H14	55.8°	60.0°
C10	C4	C3	H10	121.1°	120.0°
C10	C4	C3	H11	121.0°	120.0°
C10	C4	C3	C2	174.4°	173.6°
C10	C4	C3	C8	46.2°	66.4°
C10	C4	C3	H2	70.3°	53.6°
C4	C10	H6	H7	119.3°	120.0°
C4	C10	C11	H8	81.9°	60.0°
C4	C10	C11	H9	36.3°	60.0°
C10	C4	H10	H11	116.6°	120.0°
C4	C3	C2	N7	61.0°	60.0°
C4	C3	C2	C8	129.4°	120.0°
C4	C3	C2	H2	115.3°	120.0°
C4	C3	C8	H2	116.4°	120.0°
C4	C3	C8	N9	163.3°	66.5°
C4	C3	C2	H1	178.9°	60.0°
C4	C3	C8	H4	42.2°	173.5°
C4	C3	C8	H5	75.6°	53.5°
C3	C4	C10	H6	72.4°	65.5°
C3	C4	C10	H7	47.1°	54.5°
C3	C4	H10	H11	116.7°	120.0°
N7	C2	C3	H1	117.9°	120.0°
N7	C2	C3	C8	68.4°	180.0°
N7	C2	C3	H2	176.3°	60.0°
C2	N7	H12	H13	120.0°	123.9°
C2	C3	C8	H2	115.3°	120.0°
C2	C3	C8	N9	35.0°	173.5°
C2	C3	C8	H4	86.1°	53.5°
C2	C3	C8	H5	156.1°	66.5°
C2	C3	C4	H10	64.5°	66.4°
C2	C3	C4	H11	53.4°	53.5°
C3	C2	N7	H12	53.4°	60.0°
C3	C2	N7	H13	173.4°	63.9°
C3	C8	N9	H4	121.1°	120.0°
C3	C8	N9	H5	121.1°	120.0°
C8	C3	C2	H1	49.5°	60.1°
C3	C8	H4	H5	116.5°	120.0°
C8	C3	C4	H10	167.2°	53.6°
C8	C3	C4	H11	74.9°	173.6°
C3	C8	N9	H15	180.0°	56.1°
C3	C8	N9	H16	60.0°	180.0°
N9	C8	C3	H2	80.2°	53.5°
N9	C8	H4	H5	116.4°	120.0°
C8	N9	H15	H16	120.0°	123.9°
H1	C2	C3	H2	65.8°	180.0°
H1	C2	N7	H12	64.1°	180.0°
H1	C2	N7	H13	56.0°	56.1°
H2	C3	C8	H4	158.6°	66.5°
H2	C3	C8	H5	40.8°	173.5°
H2	C3	C4	H10	50.7°	173.6°
H2	C3	C4	H11	168.6°	66.5°
H4	C8	N9	H15	58.9°	63.9°
H4	C8	N9	H16	178.9°	60.0°
H5	C8	N9	H15	58.9°	176.1°
H5	C8	N9	H16	61.1°	60.0°
H6	C10	C11	H8	157.8°	60.0°
H6	C10	C11	H9	83.9°	179.9°
H6	C10	C4	H10	166.5°	54.5°
H6	C10	C4	H11	48.7°	174.4°
H7	C10	C11	H8	38.3°	180.0°
H7	C10	C11	H9	156.6°	60.0°
H7	C10	C4	H10	74.0°	174.5°
H7	C10	C4	H11	168.2°	65.6°

Release date:	2024-11-27
Definition date:	2023-12-14
Last modified:	2024-11-27
Release status:	REL
Processing site:	PDBE
Derived from:	8RFA