N5D

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C	C1	sing	1.51Å	1.43Å
C1	O2	sing	1.34Å	1.36Å	Aromatic
C1	C2	doub	1.35Å	1.39Å	Aromatic
O2	N5	sing	1.21Å	1.34Å	Aromatic
C2	C3	sing	1.42Å	1.39Å	Aromatic
N5	C3	doub	1.31Å	1.39Å	Aromatic
C3	N	sing	1.39Å	1.36Å
N	C4	sing	1.35Å	1.45Å
O	C4	doub	1.22Å	1.26Å
C4	N1	sing	1.35Å	1.41Å
N1	C5	sing	1.41Å	1.39Å
C5	C12	doub	1.36Å	1.39Å	Aromatic
C5	C6	sing	1.40Å	1.47Å	Aromatic
C12	N3	sing	1.36Å	1.40Å	Aromatic
C6	N2	doub	1.31Å	1.36Å	Aromatic
N3	N2	sing	1.40Å	1.39Å	Aromatic
N3	C7	sing	1.47Å	1.45Å
O1	C8	doub	1.21Å	1.22Å
C7	C8	sing	1.51Å	1.53Å
C8	N4	sing	1.35Å	1.38Å
N4	C9	sing	1.46Å	1.42Å
C10	C9	sing	1.53Å	1.53Å
C10	C11	sing	1.53Å	1.51Å
C9	C11	sing	1.53Å	1.53Å
N1	H1	sing	0.97Å	1.00Å
C6	H2	sing	1.08Å	1.08Å
C7	H3	sing	1.09Å	1.10Å
C7	H4	sing	1.09Å	1.10Å
C10	H5	sing	1.09Å	1.10Å
C10	H6	sing	1.09Å	1.10Å
N	H7	sing	0.97Å	1.00Å
C	H8	sing	1.09Å	1.10Å
C	H9	sing	1.09Å	1.10Å
C	H10	sing	1.09Å	1.10Å
C11	H11	sing	1.09Å	1.10Å
C11	H12	sing	1.09Å	1.10Å
C12	H13	sing	1.08Å	1.08Å
C2	H14	sing	1.08Å	1.08Å
C9	H15	sing	1.09Å	1.10Å
N4	H16	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C	C1	O2	112.6°	126.7°
C	C1	C2	135.3°	126.7°
C1	C	H8	109.5°	109.5°
C1	C	H9	109.5°	109.5°
C1	C	H10	109.4°	109.4°
O2	C1	C2	112.0°	106.6°
C1	O2	N5	106.8°	111.7°
C1	C2	C3	103.0°	104.0°
C1	C2	H14	128.5°	128.0°
O2	N5	C3	108.7°	111.5°
C2	C3	N5	109.5°	106.2°
C2	C3	N	130.2°	126.9°
C3	C2	H14	128.5°	128.0°
N5	C3	N	120.2°	126.9°
C3	N	C4	118.9°	120.0°
C3	N	H7	120.6°	120.0°
N	C4	O	121.1°	120.0°
N	C4	N1	112.1°	120.0°
C4	N	H7	120.6°	120.0°
O	C4	N1	126.8°	120.0°
C4	N1	C5	125.9°	120.0°
C4	N1	H1	117.1°	120.1°
N1	C5	C12	124.4°	126.0°
N1	C5	C6	128.5°	126.1°
C5	N1	H1	117.1°	120.0°
C12	C5	C6	107.0°	107.9°
C5	C12	N3	104.7°	107.5°
C5	C12	H13	127.6°	126.2°
C5	C6	N2	109.7°	108.3°
C5	C6	H2	125.1°	125.8°
C12	N3	N2	113.5°	107.9°
C12	N3	C7	123.9°	126.0°
N3	C12	H13	127.6°	126.2°
C6	N2	N3	105.0°	108.4°
N2	C6	H2	125.1°	125.8°
N2	N3	C7	122.5°	126.1°
N3	C7	C8	105.8°	109.5°
N3	C7	H3	110.4°	109.5°
N3	C7	H4	110.4°	109.5°
O1	C8	C7	121.6°	120.0°
O1	C8	N4	122.5°	120.0°
C7	C8	N4	115.9°	120.0°
C8	C7	H3	110.4°	109.4°
C8	C7	H4	110.4°	109.4°
C8	N4	C9	122.4°	120.0°
C8	N4	H16	118.8°	120.0°
N4	C9	C10	118.6°	117.6°
N4	C9	C11	115.2°	117.5°
N4	C9	H15	118.3°	115.5°
C9	N4	H16	118.8°	119.9°
C9	C10	C11	60.4°	60.0°
C10	C9	C11	58.9°	60.0°
C9	C10	H5	120.0°	117.5°
C9	C10	H6	119.9°	117.5°
C10	C9	H15	116.0°	117.5°
C10	C11	C9	60.7°	60.0°
C11	C10	H5	120.0°	117.6°
C11	C10	H6	119.9°	117.5°
C10	C11	H11	119.9°	117.5°
C10	C11	H12	119.9°	117.5°
C9	C11	H11	119.9°	117.5°
C9	C11	H12	119.9°	117.5°
C11	C9	H15	116.1°	117.5°
H3	C7	H4	109.5°	109.5°
H5	C10	H6	109.4°	115.5°
H8	C	H9	109.5°	109.5°
H8	C	H10	109.5°	109.5°
H9	C	H10	109.5°	109.4°
H11	C11	H12	109.5°	115.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C	C1	O2	C2	178.2°	179.7°
C	C1	O2	N5	177.8°	179.8°
C	C1	C2	C3	177.9°	180.0°
C1	C	H8	H9	120.0°	120.0°
C1	C	H8	H10	120.0°	120.0°
C1	C	H9	H10	120.0°	119.9°
C	C1	C2	H14	2.1°	0.1°
O2	C1	C2	C3	0.3°	0.3°
C1	O2	N5	C3	0.9°	0.5°
O2	C1	C	H8	0.0°	0.1°
O2	C1	C	H9	120.0°	120.0°
O2	C1	C	H10	120.0°	120.1°
O2	C1	C2	H14	179.7°	179.8°
C2	C1	O2	N5	0.4°	0.5°
C1	C2	C3	H14	180.0°	180.0°
C1	C2	C3	N5	0.8°	0.0°
C1	C2	C3	N	177.4°	180.0°
C2	C1	C	H8	177.6°	179.7°
C2	C1	C	H9	57.6°	59.6°
C2	C1	C	H10	62.4°	60.3°
O2	N5	C3	C2	1.1°	0.3°
O2	N5	C3	N	177.4°	179.7°
C2	C3	N5	N	178.5°	180.0°
C2	C3	N	C4	177.9°	0.0°
C2	C3	N	H7	2.1°	180.0°
N5	C3	N	C4	0.2°	179.9°
N5	C3	N	H7	179.8°	0.1°
N5	C3	C2	H14	179.2°	180.0°
C3	N	C4	H7	180.0°	180.0°
C3	N	C4	O	1.8°	0.0°
C3	N	C4	N1	177.2°	180.0°
N	C3	C2	H14	2.6°	0.0°
N	C4	O	N1	178.9°	180.0°
N	C4	N1	C5	179.9°	180.0°
N	C4	N1	H1	0.1°	0.3°
O	C4	N1	C5	1.1°	0.0°
O	C4	N1	H1	178.9°	179.7°
O	C4	N	H7	178.1°	180.0°
C4	N1	C5	H1	180.0°	179.7°
C4	N1	C5	C12	39.3°	179.8°
C4	N1	C5	C6	143.5°	0.6°
N1	C4	N	H7	2.8°	0.0°
N1	C5	C12	C6	177.7°	179.7°
N1	C5	C12	N3	177.9°	180.0°
N1	C5	C6	N2	177.1°	179.9°
N1	C5	C6	H2	3.0°	0.1°
N1	C5	C12	H13	2.1°	0.1°
C5	C12	N3	H13	180.0°	179.9°
C12	C5	C6	N2	0.5°	0.5°
C5	C12	N3	N2	0.8°	0.0°
C5	C12	N3	C7	175.9°	179.7°
C12	C5	N1	H1	140.7°	0.1°
C12	C5	C6	H2	179.4°	179.7°
C6	C5	C12	N3	0.2°	0.3°
C5	C6	N2	H2	180.0°	179.8°
C5	C6	N2	N3	1.0°	0.4°
C6	C5	N1	H1	36.6°	179.7°
C6	C5	C12	H13	179.8°	179.8°
C12	N3	N2	C6	1.2°	0.2°
C12	N3	N2	C7	176.8°	179.8°
C12	N3	C7	C8	61.2°	125.3°
C12	N3	C7	H3	179.4°	114.8°
C12	N3	C7	H4	58.2°	5.3°
C6	N2	N3	C7	175.6°	180.0°
N2	N3	C7	C8	122.3°	55.0°
N3	N2	C6	H2	179.0°	179.8°
N2	N3	C7	H3	2.9°	65.0°
N2	N3	C7	H4	118.3°	175.0°
N2	N3	C12	H13	179.2°	180.0°
N3	C7	C8	O1	78.3°	0.0°
N3	C7	C8	H3	119.4°	120.0°
N3	C7	C8	H4	119.4°	120.0°
N3	C7	C8	N4	99.8°	180.0°
N3	C7	H3	H4	121.7°	120.1°
C7	N3	C12	H13	4.1°	0.2°
O1	C8	C7	N4	178.1°	180.0°
O1	C8	N4	C9	3.8°	0.1°
O1	C8	C7	H3	162.3°	120.0°
O1	C8	C7	H4	41.1°	120.0°
O1	C8	N4	H16	176.2°	180.0°
C7	C8	N4	C9	178.2°	180.0°
C8	C7	H3	H4	121.7°	119.9°
C7	C8	N4	H16	1.8°	0.1°
C8	N4	C9	H16	180.0°	179.9°
C8	N4	C9	C10	44.2°	155.0°
C8	N4	C9	C11	111.1°	136.4°
N4	C8	C7	H3	19.6°	59.9°
N4	C8	C7	H4	140.8°	60.0°
C8	N4	C9	H15	105.2°	9.3°
N4	C9	C10	C11	103.8°	107.5°
N4	C9	C10	H15	150.1°	145.0°
N4	C9	C11	H15	144.5°	144.9°
N4	C9	C10	H5	5.8°	145.0°
N4	C9	C10	H6	146.6°	0.0°
N4	C9	C11	H11	0.1°	0.0°
N4	C9	C11	H12	140.8°	144.9°
C9	C10	C11	H5	109.6°	107.5°
C9	C10	C11	H6	109.6°	107.5°
C10	C9	C11	H15	106.0°	107.5°
C9	C10	H5	H6	144.5°	145.6°
C9	C10	C11	H11	109.7°	107.5°
C9	C10	C11	H12	109.7°	107.5°
C10	C9	N4	H16	135.8°	25.0°
C11	C10	H5	H6	144.5°	145.7°
C10	C11	H11	H12	144.4°	145.7°
C9	C11	H11	H12	144.4°	145.7°
C11	C9	N4	H16	68.9°	43.7°
H5	C10	C11	H11	0.1°	145.0°
H5	C10	C11	H12	140.7°	0.1°
H5	C10	C9	H15	144.3°	0.0°
H6	C10	C11	H11	140.8°	0.0°
H6	C10	C11	H12	0.1°	145.0°
H6	C10	C9	H15	3.5°	145.0°
H8	C	H9	H10	120.0°	120.0°
H11	C11	C9	H15	144.4°	145.0°
H12	C11	C9	H15	3.7°	0.0°
H15	C9	N4	H16	74.8°	170.6°

Release date:	2019-12-18
Definition date:	2019-05-03
Last modified:	2019-12-13
Release status:	REL
Processing site:	RCSB
Derived from:	5QQN