A1IDH

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C09	C10	sing	1.53Å	1.53Å
C09	C08	sing	1.51Å	1.53Å
C10	C11	sing	1.51Å	1.53Å
O12	C11	doub	1.21Å	1.19Å
C08	C07	doub	1.35Å	1.43Å	Aromatic
C08	N06	sing	1.34Å	1.34Å	Aromatic
C07	N04	sing	1.35Å	1.33Å	Aromatic
N06	N05	doub	1.29Å	1.32Å	Aromatic
O01	C02	doub	1.21Å	1.19Å
N04	N05	sing	1.29Å	1.32Å	Aromatic
N04	C03	sing	1.47Å	1.45Å
C02	C03	sing	1.51Å	1.53Å
C03	H2	sing	1.09Å	1.10Å
C03	H3	sing	1.09Å	1.10Å
C07	H4	sing	1.08Å	1.08Å
C09	H5	sing	1.09Å	1.10Å
C09	H6	sing	1.09Å	1.10Å
C10	H7	sing	1.09Å	1.10Å
C10	H8	sing	1.09Å	1.10Å
C02	O1	sing	1.34Å	65.43Å
C11	O2	sing	1.34Å	62.94Å
O1	H1	sing	0.97Å	0.00Å
O2	H9	sing	0.97Å	0.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C10	C09	C08	112.5°	109.5°
C09	C10	C11	113.4°	109.5°
C10	C09	H5	108.7°	109.5°
C10	C09	H6	108.7°	109.5°
C09	C10	H7	108.5°	109.5°
C09	C10	H8	108.5°	109.4°
C09	C08	C07	126.1°	126.8°
C09	C08	N06	128.2°	126.7°
C08	C09	H5	108.7°	109.5°
C08	C09	H6	108.7°	109.5°
C10	C11	O12	121.9°	120.0°
C11	C10	H7	108.5°	109.5°
C11	C10	H8	108.5°	109.5°
C10	C11	O2	162.6°	120.0°
O12	C11	O2	41.8°	120.0°
C07	C08	N06	105.7°	106.5°
C08	C07	N04	106.3°	106.2°
C08	C07	H4	126.8°	126.9°
C08	N06	N05	108.8°	108.9°
C07	N04	N05	109.0°	108.3°
C07	N04	C03	124.4°	125.9°
N04	C07	H4	126.8°	126.9°
N06	N05	N04	110.2°	110.2°
O01	C02	C03	118.4°	120.0°
O01	C02	O1	18.7°	120.0°
N05	N04	C03	126.6°	125.9°
N04	C03	C02	108.2°	109.5°
N04	C03	H2	109.8°	109.5°
N04	C03	H3	109.8°	109.5°
C02	C03	H2	109.8°	109.5°
C02	C03	H3	109.8°	109.4°
C03	C02	O1	99.8°	120.0°
H2	C03	H3	109.5°	109.4°
H5	C09	H6	109.5°	109.4°
H7	C10	H8	109.4°	109.5°
C02	O1	H1	90.0°	117.0°
C11	O2	H9	90.0°	117.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C10	C09	C08	H5	120.4°	120.0°
C10	C09	C08	H6	120.5°	120.0°
C09	C10	C11	H7	120.6°	120.0°
C09	C10	C11	H8	120.6°	120.0°
C09	C10	C11	O12	21.7°	0.0°
C10	C09	C08	C07	152.5°	125.0°
C10	C09	C08	N06	27.5°	54.9°
C10	C09	H5	H6	118.6°	120.0°
C09	C10	H7	H8	118.2°	119.9°
C09	C10	C11	O2	40.4°	180.0°
C08	C09	C10	C11	71.6°	180.0°
C09	C08	C07	N06	180.0°	179.9°
C09	C08	C07	N04	179.8°	179.9°
C09	C08	N06	N05	179.9°	179.8°
C09	C08	C07	H4	0.2°	0.2°
C08	C09	H5	H6	118.6°	120.0°
C08	C09	C10	H7	49.0°	60.0°
C08	C09	C10	H8	167.8°	60.0°
C10	C11	O12	O2	171.8°	180.0°
C11	C10	C09	H5	48.8°	60.0°
C11	C10	C09	H6	167.9°	60.0°
C11	C10	H7	H8	118.2°	120.0°
C10	C11	O2	H9	90.0°	180.0°
O12	C11	C10	H7	142.3°	120.0°
O12	C11	C10	H8	98.9°	120.0°
O12	C11	O2	H9	90.0°	0.0°
C08	C07	N04	H4	180.0°	179.8°
C07	C08	N06	N05	0.1°	0.3°
C08	C07	N04	N05	0.5°	0.2°
C08	C07	N04	C03	179.8°	179.7°
C07	C08	C09	H5	87.0°	115.0°
C07	C08	C09	H6	32.1°	4.9°
N06	C08	C07	N04	0.2°	0.1°
C08	N06	N05	N04	0.4°	0.5°
N06	C08	C07	H4	179.8°	179.7°
N06	C08	C09	H5	93.0°	65.1°
N06	C08	C09	H6	147.9°	174.9°
C07	N04	N05	N06	0.6°	0.4°
C07	N04	N05	C03	179.3°	179.9°
C07	N04	C03	C02	56.5°	125.0°
C07	N04	C03	H2	63.3°	5.0°
C07	N04	C03	H3	176.3°	115.0°
N06	N05	N04	C03	179.9°	179.5°
O01	C02	C03	N04	57.8°	0.2°
O01	C02	C03	O1	1.4°	179.8°
O01	C02	C03	H2	177.6°	120.3°
O01	C02	C03	H3	62.0°	119.8°
O01	C02	O1	H1	90.0°	0.2°
N05	N04	C03	C02	122.7°	55.0°
N05	N04	C03	H2	117.5°	175.1°
N05	N04	C03	H3	2.9°	64.9°
N05	N04	C07	H4	179.6°	180.0°
N04	C03	C02	H2	119.8°	120.1°
N04	C03	C02	H3	119.8°	120.0°
N04	C03	H2	H3	120.6°	120.0°
C03	N04	C07	H4	0.2°	0.0°
N04	C03	C02	O1	59.2°	180.0°
C02	C03	H2	H3	120.5°	120.0°
C03	C02	O1	H1	90.0°	180.0°
H2	C03	C02	O1	179.0°	59.9°
H3	C03	C02	O1	60.6°	60.0°
H5	C09	C10	H7	169.4°	NaN°
H5	C09	C10	H8	71.7°	60.0°
H6	C09	C10	H7	71.5°	60.1°
H6	C09	C10	H8	47.4°	180.0°
H7	C10	C11	O2	160.9°	60.0°
H8	C10	C11	O2	80.3°	60.0°

Release date:	2024-09-18
Definition date:	2024-06-05
Last modified:	2024-09-27
Release status:	REL
Processing site:	PDBE
Derived from:	9FJ3