3Y7

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C6	C7	sing	1.53Å	1.52Å
C6	O	sing	1.43Å	1.42Å
C7	N1	sing	1.47Å	1.47Å
O	C5	sing	1.43Å	1.42Å
N1	C3	sing	1.40Å	1.43Å
N1	C4	sing	1.47Å	1.48Å
C2	C3	doub	1.36Å	1.40Å	Aromatic
C2	C1	sing	1.40Å	1.39Å	Aromatic
C5	C4	sing	1.53Å	1.53Å
C3	C8	sing	1.46Å	1.41Å	Aromatic
C1	C	doub	1.36Å	1.38Å	Aromatic
C8	C9	sing	1.49Å	1.41Å	Aromatic
C8	N2	doub	1.31Å	1.36Å	Aromatic
C	N	sing	1.40Å	1.36Å
C	C9	sing	1.46Å	1.39Å	Aromatic
C9	N3	doub	1.31Å	1.35Å	Aromatic
N2	O1	sing	1.22Å	1.33Å	Aromatic
N3	O1	sing	1.22Å	1.33Å	Aromatic
N	H1	sing	0.97Å	1.00Å
N	H2	sing	0.97Å	1.00Å
C2	H3	sing	1.08Å	1.08Å
C1	H4	sing	1.08Å	1.08Å
C7	H5	sing	1.09Å	1.10Å
C7	H6	sing	1.09Å	1.10Å
C6	H7	sing	1.09Å	1.10Å
C6	H8	sing	1.09Å	1.10Å
C5	H9	sing	1.09Å	1.10Å
C5	H10	sing	1.09Å	1.10Å
C4	H11	sing	1.09Å	1.10Å
C4	H12	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C7	C6	O	108.1°	109.3°
C6	C7	N1	108.9°	109.3°
C6	C7	H5	109.6°	109.5°
C6	C7	H6	109.6°	109.5°
C7	C6	H7	109.8°	109.5°
C7	C6	H8	109.8°	109.5°
C6	O	C5	110.3°	113.8°
O	C6	H7	109.8°	109.5°
O	C6	H8	109.8°	109.5°
C7	N1	C3	119.9°	111.0°
C7	N1	C4	119.8°	110.7°
N1	C7	H5	109.7°	109.5°
N1	C7	H6	109.6°	109.5°
O	C5	C4	112.9°	109.2°
O	C5	H9	108.6°	109.5°
O	C5	H10	108.6°	109.5°
C3	N1	C4	120.2°	111.0°
N1	C3	C2	120.5°	120.3°
N1	C3	C8	122.4°	120.3°
N1	C4	C5	113.1°	109.3°
N1	C4	H11	108.5°	109.5°
N1	C4	H12	108.5°	109.5°
C3	C2	C1	121.7°	122.5°
C2	C3	C8	117.1°	119.3°
C3	C2	H3	119.2°	118.7°
C2	C1	C	120.7°	122.5°
C1	C2	H3	119.1°	118.7°
C2	C1	H4	119.7°	118.8°
C4	C5	H9	108.6°	109.5°
C4	C5	H10	108.6°	109.5°
C5	C4	H11	108.6°	109.5°
C5	C4	H12	108.5°	109.5°
C3	C8	C9	120.9°	118.2°
C3	C8	N2	132.7°	139.0°
C1	C	N	120.0°	120.3°
C1	C	C9	119.2°	119.3°
C	C1	H4	119.6°	118.7°
C9	C8	N2	106.4°	102.8°
C8	C9	C	120.4°	118.2°
C8	C9	N3	109.1°	102.8°
C8	N2	O1	105.8°	109.1°
N	C	C9	120.8°	120.4°
C	N	H1	109.5°	120.0°
C	N	H2	109.5°	120.0°
C	C9	N3	130.6°	139.0°
C9	N3	O1	104.4°	109.1°
N2	O1	N3	114.3°	116.2°
H1	N	H2	109.5°	120.0°
H5	C7	H6	109.5°	109.4°
H7	C6	H8	109.5°	109.5°
H9	C5	H10	109.5°	109.6°
H11	C4	H12	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C7	C6	O	H7	119.8°	119.9°
C7	C6	O	H8	119.8°	120.0°
C6	C7	N1	H5	119.9°	120.0°
C6	C7	N1	H6	119.9°	120.0°
C7	C6	O	C5	71.4°	58.7°
C6	C7	N1	C3	144.0°	177.6°
C6	C7	N1	C4	39.0°	58.6°
C6	C7	H5	H6	120.3°	120.1°
C7	C6	H7	H8	120.6°	120.1°
O	C6	C7	N1	58.9°	56.8°
C6	O	C5	C4	59.0°	58.7°
O	C6	C7	H5	61.0°	176.8°
O	C6	C7	H6	178.8°	63.2°
O	C6	H7	H8	120.6°	120.1°
C6	O	C5	H9	61.5°	61.2°
C6	O	C5	H10	179.5°	178.6°
C7	N1	C3	C4	176.9°	123.6°
C7	N1	C3	C2	22.0°	63.6°
C7	N1	C4	C5	27.7°	58.6°
C7	N1	C3	C8	157.2°	116.3°
N1	C7	H5	H6	120.3°	120.0°
N1	C7	C6	H7	60.9°	63.1°
N1	C7	C6	H8	178.7°	176.8°
C7	N1	C4	H11	92.8°	61.4°
C7	N1	C4	H12	148.3°	178.6°
O	C5	C4	N1	35.5°	56.8°
O	C5	C4	H9	120.5°	119.9°
O	C5	C4	H10	120.5°	120.0°
C5	O	C6	H7	48.4°	61.2°
C5	O	C6	H8	168.8°	178.6°
O	C5	H9	H10	118.4°	120.2°
O	C5	C4	H11	85.0°	63.1°
O	C5	C4	H12	156.0°	176.8°
N1	C3	C2	C8	179.2°	180.0°
N1	C3	C2	C1	179.4°	179.7°
C3	N1	C4	C5	155.3°	177.6°
N1	C3	C8	C9	179.4°	180.0°
N1	C3	C8	N2	1.0°	0.1°
N1	C3	C2	H3	0.6°	0.1°
C3	N1	C7	H5	96.1°	57.6°
C3	N1	C7	H6	24.1°	62.4°
C3	N1	C4	H11	84.1°	62.4°
C3	N1	C4	H12	34.8°	57.6°
C4	N1	C3	C2	161.1°	60.0°
N1	C4	C5	H11	120.5°	119.9°
N1	C4	C5	H12	120.5°	119.9°
C4	N1	C3	C8	19.8°	120.0°
C4	N1	C7	H5	80.9°	178.6°
C4	N1	C7	H6	158.9°	61.4°
N1	C4	C5	H9	85.0°	63.0°
N1	C4	C5	H10	156.0°	176.8°
N1	C4	H11	H12	118.3°	120.0°
C3	C2	C1	H3	180.0°	179.8°
C3	C2	C1	C	0.3°	0.6°
C2	C3	C8	C9	0.2°	0.0°
C2	C3	C8	N2	179.9°	179.9°
C3	C2	C1	H4	179.7°	180.0°
C1	C2	C3	C8	0.2°	0.3°
C2	C1	C	H4	180.0°	179.4°
C2	C1	C	N	180.0°	179.8°
C2	C1	C	C9	0.4°	0.6°
C4	C5	H9	H10	118.5°	120.1°
C5	C4	H11	H12	118.3°	120.2°
C3	C8	C9	N2	179.7°	179.9°
C3	C8	C9	C	0.3°	0.0°
C3	C8	C9	N3	179.9°	180.0°
C3	C8	N2	O1	180.0°	180.0°
C8	C3	C2	H3	179.8°	180.0°
C1	C	C9	C8	0.4°	0.3°
C1	C	N	C9	179.6°	179.6°
C1	C	C9	N3	179.9°	179.8°
C1	C	N	H1	180.0°	179.7°
C1	C	N	H2	60.0°	0.6°
C	C1	C2	H3	179.7°	179.6°
C8	C9	C	N	180.0°	179.9°
C8	C9	C	N3	179.7°	179.9°
C9	C8	N2	O1	0.3°	0.0°
C8	C9	N3	O1	0.0°	0.0°
N2	C8	C9	C	179.9°	179.9°
N2	C8	C9	N3	0.2°	0.0°
C8	N2	O1	N3	0.4°	0.1°
N	C	C9	N3	0.3°	0.1°
C	N	H1	H2	120.0°	179.7°
N	C	C1	H4	0.0°	0.3°
C	C9	N3	O1	179.7°	179.9°
C9	C	N	H1	0.4°	0.1°
C9	C	N	H2	120.4°	179.8°
C9	C	C1	H4	179.6°	180.0°
C9	N3	O1	N2	0.3°	0.0°
H3	C2	C1	H4	0.3°	0.2°
H5	C7	C6	H7	179.2°	56.9°
H5	C7	C6	H8	58.8°	63.2°
H6	C7	C6	H7	59.0°	176.9°
H6	C7	C6	H8	61.4°	56.8°
H9	C5	C4	H11	154.5°	177.0°
H9	C5	C4	H12	35.5°	56.9°
H10	C5	C4	H11	35.5°	56.9°
H10	C5	C4	H12	83.5°	63.3°

Release date:	2017-03-29
Definition date:	2014-12-10
Last modified:	2017-03-24
Release status:	REL
Processing site:	RCSB
Derived from:	4X70