A1DXK

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	sing	1.53Å	1.54Å
C2	C3	sing	1.53Å	1.54Å
C2	C4	sing	1.53Å	1.55Å
C5	C4	sing	1.53Å	1.55Å
C5	O1	sing	1.43Å	1.42Å
C4	N1	sing	1.47Å	1.46Å
N1	C6	sing	1.38Å	1.39Å
C10	C11	sing	1.46Å	1.43Å	Aromatic
C10	C9	doub	1.34Å	1.36Å	Aromatic
C6	C11	doub	1.40Å	1.41Å	Aromatic
C6	N2	sing	1.33Å	1.35Å	Aromatic
C11	C8	sing	1.41Å	1.42Å	Aromatic
N2	C7	doub	1.32Å	1.33Å	Aromatic
C9	CL1	sing	1.74Å	1.70Å
C9	N4	sing	1.37Å	1.37Å	Aromatic
C8	N4	sing	1.37Å	1.37Å	Aromatic
C8	N3	doub	1.33Å	1.35Å	Aromatic
C7	N3	sing	1.32Å	1.33Å	Aromatic
C1	H3	sing	1.09Å	1.10Å
C1	H1	sing	1.09Å	1.10Å
C1	H2	sing	1.09Å	1.10Å
C10	H15	sing	1.08Å	1.08Å
C2	H4	sing	1.09Å	1.10Å
C3	H7	sing	1.09Å	1.10Å
C3	H5	sing	1.09Å	1.10Å
C3	H6	sing	1.09Å	1.10Å
C4	H8	sing	1.09Å	1.10Å
C5	H10	sing	1.09Å	1.10Å
C5	H9	sing	1.09Å	1.10Å
C7	H13	sing	1.08Å	1.08Å
N1	H12	sing	0.97Å	1.00Å
N4	H14	sing	0.97Å	1.00Å
O1	H11	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C1	C2	C3	108.3°	109.5°
C1	C2	C4	112.0°	109.5°
C2	C1	H3	109.5°	109.5°
C2	C1	H1	109.5°	109.5°
C2	C1	H2	109.5°	109.4°
C1	C2	H4	108.2°	109.4°
C3	C2	C4	111.9°	109.5°
C3	C2	H4	108.2°	109.4°
C2	C3	H7	109.5°	109.4°
C2	C3	H5	109.5°	109.5°
C2	C3	H6	109.5°	109.5°
C2	C4	C5	113.1°	109.5°
C2	C4	N1	109.5°	109.5°
C4	C2	H4	108.1°	109.5°
C2	C4	H8	108.0°	109.4°
C4	C5	O1	111.7°	109.5°
C5	C4	N1	108.9°	109.5°
C5	C4	H8	108.0°	109.5°
C4	C5	H10	108.9°	109.5°
C4	C5	H9	108.9°	109.5°
O1	C5	H10	108.9°	109.5°
O1	C5	H9	108.9°	109.5°
C5	O1	H11	109.5°	114.0°
C4	N1	C6	122.3°	120.0°
N1	C4	H8	109.2°	109.5°
C4	N1	H12	106.2°	120.0°
N1	C6	C11	121.3°	120.8°
N1	C6	N2	120.0°	120.8°
C6	N1	H12	106.2°	120.0°
C11	C10	C9	104.7°	106.8°
C10	C11	C6	136.1°	135.1°
C10	C11	C8	107.8°	106.2°
C11	C10	H15	127.7°	126.6°
C10	C9	CL1	130.5°	125.1°
C10	C9	N4	112.3°	109.8°
C9	C10	H15	127.6°	126.6°
C11	C6	N2	118.7°	118.4°
C6	C11	C8	116.1°	118.7°
C6	N2	C7	119.2°	121.0°
C11	C8	N4	107.7°	107.2°
C11	C8	N3	125.5°	118.6°
N2	C7	N3	128.2°	122.7°
N2	C7	H13	115.9°	118.7°
CL1	C9	N4	117.2°	125.1°
C9	N4	C8	107.4°	110.0°
C9	N4	H14	126.3°	125.0°
N4	C8	N3	126.8°	134.3°
C8	N4	H14	126.3°	125.0°
C8	N3	C7	112.3°	120.7°
N3	C7	H13	115.9°	118.6°
H3	C1	H1	109.5°	109.5°
H3	C1	H2	109.5°	109.5°
H1	C1	H2	109.5°	109.4°
H7	C3	H5	109.5°	109.4°
H7	C3	H6	109.4°	109.5°
H5	C3	H6	109.4°	109.5°
H10	C5	H9	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C1	C2	C3	C4	123.9°	120.1°
C1	C2	C3	H4	117.1°	119.9°
C1	C2	C4	H4	119.1°	120.0°
C1	C2	C4	C5	67.1°	180.0°
C1	C2	C4	N1	171.2°	60.0°
C2	C1	H3	H1	120.0°	120.1°
C2	C1	H3	H2	120.0°	120.0°
C2	C1	H1	H2	120.0°	119.9°
C1	C2	C3	H7	180.0°	60.1°
C1	C2	C3	H5	60.0°	180.0°
C1	C2	C3	H6	60.0°	59.9°
C1	C2	C4	H8	52.4°	60.0°
C3	C2	C4	H4	119.1°	120.0°
C3	C2	C4	C5	171.1°	60.0°
C3	C2	C4	N1	49.4°	180.0°
C3	C2	C1	H3	180.0°	59.9°
C3	C2	C1	H1	60.0°	180.0°
C3	C2	C1	H2	60.0°	60.1°
C2	C3	H7	H5	120.0°	119.9°
C2	C3	H7	H6	120.0°	120.0°
C2	C3	H5	H6	120.0°	120.1°
C3	C2	C4	H8	69.4°	60.1°
C2	C4	C5	N1	122.1°	120.0°
C2	C4	C5	H8	119.5°	120.0°
C2	C4	C5	O1	171.4°	55.0°
C2	C4	N1	H8	118.1°	119.9°
C2	C4	N1	C6	135.1°	85.0°
C4	C2	C1	H3	56.1°	180.0°
C4	C2	C1	H1	176.1°	59.9°
C4	C2	C1	H2	63.9°	60.0°
C4	C2	C3	H7	56.1°	60.0°
C4	C2	C3	H5	63.9°	59.9°
C4	C2	C3	H6	176.1°	180.0°
C2	C4	C5	H10	51.1°	65.0°
C2	C4	C5	H9	68.3°	175.0°
C2	C4	N1	H12	13.4°	95.0°
C4	C5	O1	H10	120.3°	120.0°
C4	C5	O1	H9	120.4°	120.0°
C5	C4	N1	H8	117.7°	120.0°
C5	C4	N1	C6	100.7°	155.0°
C5	C4	C2	H4	52.0°	60.0°
C4	C5	H10	H9	119.0°	120.0°
C5	C4	N1	H12	137.6°	25.0°
C4	C5	O1	H11	180.0°	180.0°
O1	C5	C4	N1	49.3°	65.0°
O1	C5	C4	H8	69.1°	175.0°
O1	C5	H10	H9	118.9°	120.0°
C4	N1	C6	H12	121.7°	180.0°
C4	N1	C6	C11	162.5°	180.0°
C4	N1	C6	N2	17.8°	0.1°
N1	C4	C2	H4	69.7°	60.0°
N1	C4	C5	H10	71.0°	175.0°
N1	C4	C5	H9	169.7°	55.0°
N1	C6	C11	C10	0.8°	0.3°
N1	C6	C11	N2	179.7°	179.9°
N1	C6	C11	C8	179.6°	179.9°
N1	C6	N2	C7	179.8°	180.0°
C6	N1	C4	H8	17.0°	34.9°
C11	C10	C9	H15	180.0°	179.9°
C10	C11	C6	C8	179.6°	179.7°
C10	C11	C6	N2	179.0°	179.7°
C11	C10	C9	CL1	179.7°	180.0°
C11	C10	C9	N4	0.8°	0.0°
C10	C11	C8	N4	0.1°	0.0°
C10	C11	C8	N3	179.4°	180.0°
C9	C10	C11	C6	179.8°	179.7°
C9	C10	C11	C8	0.5°	0.0°
C10	C9	CL1	N4	179.5°	180.0°
C10	C9	N4	C8	0.8°	0.1°
C10	C9	N4	H14	179.2°	180.0°
C11	C6	N2	C7	0.4°	0.1°
C6	C11	C8	N4	179.8°	179.8°
C6	C11	C8	N3	0.3°	0.2°
C6	C11	C10	H15	0.2°	0.2°
C11	C6	N1	H12	75.8°	0.0°
N2	C6	C11	C8	0.7°	0.0°
C6	N2	C7	N3	0.2°	0.2°
C6	N2	C7	H13	179.8°	179.7°
N2	C6	N1	H12	103.9°	179.9°
C11	C8	N4	C9	0.4°	0.0°
C11	C8	N4	N3	179.5°	180.0°
C11	C8	N3	C7	0.2°	0.5°
C8	C11	C10	H15	179.5°	179.9°
C11	C8	N4	H14	179.6°	180.0°
N2	C7	N3	C8	0.5°	0.5°
N2	C7	N3	H13	180.0°	179.5°
CL1	C9	N4	C8	179.6°	180.0°
CL1	C9	C10	H15	0.3°	0.1°
CL1	C9	N4	H14	0.4°	0.0°
C9	N4	C8	H14	180.0°	179.9°
C9	N4	C8	N3	179.9°	180.0°
N4	C9	C10	H15	179.2°	180.0°
N4	C8	N3	C7	179.1°	179.6°
C8	N3	C7	H13	179.4°	180.0°
N3	C8	N4	H14	0.1°	0.0°
H3	C1	H1	H2	120.0°	120.0°
H3	C1	C2	H4	62.9°	60.0°
H1	C1	C2	H4	57.1°	60.0°
H2	C1	C2	H4	177.1°	180.0°
H4	C2	C3	H7	62.9°	180.0°
H4	C2	C3	H5	177.1°	60.1°
H4	C2	C3	H6	57.1°	60.0°
H4	C2	C4	H8	171.5°	180.0°
H7	C3	H5	H6	120.0°	120.0°
H8	C4	C5	H10	170.6°	55.0°
H8	C4	C5	H9	51.2°	65.0°
H8	C4	N1	H12	104.7°	145.0°
H10	C5	O1	H11	59.7°	60.0°
H9	C5	O1	H11	59.6°	60.0°

Release date:	2026-11-04
Definition date:	2026-08-25
Last modified:	2026-10-30
Release status:	REL
Processing site:	RCSB
Derived from:	15OW