6J7

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O	P	doub	1.48Å	1.50Å
O2	P	sing	1.61Å	1.50Å
N2	C6	sing	1.37Å	1.34Å
P	O3	sing	1.63Å	1.61Å
P	O1	sing	1.62Å	1.59Å
O3	C1	sing	1.43Å	1.43Å
C6	N3	sing	1.36Å	1.35Å
C6	N1	doub	1.31Å	1.35Å
O1	C	sing	1.45Å	1.43Å
N3	C7	sing	1.35Å	1.33Å
C1	C2	sing	1.53Å	1.52Å
C1	C3	sing	1.56Å	1.52Å
N1	C5	sing	1.34Å	1.34Å
C	C3	sing	1.52Å	1.52Å
C2	O4	sing	1.43Å	1.44Å
C2	C4	sing	1.55Å	1.53Å
C3	O5	sing	1.43Å	1.44Å
C7	O6	doub	1.22Å	1.25Å
C7	C8	sing	1.41Å	1.46Å
C5	C8	doub	1.40Å	1.49Å	Aromatic
C5	N	sing	1.37Å	1.31Å	Aromatic
O5	C4	sing	1.45Å	1.44Å
C8	N4	sing	1.36Å	1.34Å	Aromatic
C4	N	sing	1.46Å	1.48Å
N	C9	sing	1.37Å	1.32Å	Aromatic
N4	C9	doub	1.30Å	1.33Å	Aromatic
C9	BR	sing	1.89Å	1.94Å
N3	H10	sing	0.97Å	1.00Å
N2	H8	sing	0.97Å	1.00Å
N2	H9	sing	0.97Å	1.00Å
C4	H7	sing	1.09Å	1.10Å
C2	H3	sing	1.09Å	1.10Å
O4	HO4	sing	0.97Å	0.95Å
C3	H6	sing	1.09Å	1.10Å
C	H1	sing	1.09Å	1.10Å
C	H	sing	1.09Å	1.10Å
C1	H5	sing	1.09Å	1.10Å
O2	H2	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O	P	O2	118.7°	110.0°
O	P	O3	107.6°	110.0°
O	P	O1	107.4°	109.3°
O2	P	O3	108.3°	110.0°
O2	P	O1	108.6°	110.4°
P	O2	H2	109.5°	114.1°
N2	C6	N3	117.8°	119.1°
N2	C6	N1	118.6°	119.1°
C6	N2	H8	120.0°	120.0°
C6	N2	H9	120.0°	120.0°
O3	P	O1	105.5°	107.1°
P	O3	C1	111.2°	116.6°
P	O1	C	119.5°	120.3°
O3	C1	C2	117.5°	114.6°
O3	C1	C3	112.7°	106.2°
O3	C1	H5	109.3°	111.8°
N3	C6	N1	123.6°	121.9°
C6	N3	C7	122.3°	120.4°
C6	N3	H10	118.8°	119.8°
C6	N1	C5	119.4°	121.2°
O1	C	C3	105.6°	106.7°
O1	C	H1	110.5°	110.0°
O1	C	H	110.4°	110.1°
N3	C7	O6	122.7°	120.8°
N3	C7	C8	118.2°	118.4°
C7	N3	H10	118.8°	119.8°
C2	C1	C3	100.3°	100.9°
C1	C2	O4	110.6°	110.6°
C1	C2	C4	102.3°	103.3°
C1	C2	H3	111.5°	110.8°
C2	C1	H5	108.2°	111.3°
C1	C3	C	111.8°	108.5°
C1	C3	O5	104.0°	102.9°
C1	C3	H6	108.2°	109.4°
C3	C1	H5	108.2°	111.5°
N1	C5	C8	119.6°	119.7°
N1	C5	N	134.0°	134.2°
C	C3	O5	115.3°	116.5°
C	C3	H6	108.1°	109.6°
C3	C	H1	110.4°	110.0°
C3	C	H	110.4°	110.1°
O4	C2	C4	107.5°	110.7°
O4	C2	H3	112.9°	110.6°
C2	O4	HO4	109.5°	114.0°
C2	C4	O5	108.9°	107.3°
C2	C4	N	112.7°	109.9°
C2	C4	H7	108.0°	109.9°
C4	C2	H3	111.5°	110.6°
C3	O5	C4	103.5°	105.4°
O5	C3	H6	109.2°	109.5°
O6	C7	C8	119.0°	120.8°
C7	C8	C5	116.8°	118.6°
C7	C8	N4	134.3°	134.1°
C8	C5	N	106.3°	106.1°
C5	C8	N4	108.9°	107.3°
C5	N	C4	128.4°	126.3°
C5	N	C9	104.2°	107.5°
O5	C4	N	109.5°	109.9°
O5	C4	H7	109.1°	109.9°
C8	N4	C9	101.2°	109.3°
C4	N	C9	127.3°	126.3°
N	C4	H7	108.6°	109.9°
N	C9	N4	119.4°	109.8°
N	C9	BR	120.7°	125.1°
N4	C9	BR	119.9°	125.1°
H8	N2	H9	120.0°	120.0°
H1	C	H	109.5°	110.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O	P	O2	O3	123.0°	121.3°
O	P	O2	O1	122.9°	120.7°
O	P	O3	O1	114.4°	118.6°
O	P	O3	C1	66.6°	81.3°
O	P	O1	C	63.1°	85.7°
O	P	O2	H2	0.0°	58.7°
O2	P	O3	O1	116.2°	120.0°
O2	P	O3	C1	164.0°	157.4°
O2	P	O1	C	167.4°	153.1°
N2	C6	N3	N1	180.0°	180.0°
N2	C6	N3	C7	179.9°	179.9°
N2	C6	N1	C5	179.2°	179.9°
N2	C6	N3	H10	0.1°	0.0°
C6	N2	H8	H9	180.0°	179.9°
O3	P	O1	C	51.4°	33.4°
P	O3	C1	C2	173.4°	167.8°
P	O3	C1	C3	57.5°	57.3°
P	O3	C1	H5	62.9°	64.5°
O3	P	O2	H2	123.0°	180.0°
O1	P	O3	C1	47.8°	37.3°
P	O1	C	C3	56.4°	49.7°
P	O1	C	H1	175.8°	69.6°
P	O1	C	H	63.0°	169.1°
O1	P	O2	H2	122.9°	62.1°
O3	C1	C2	C3	122.5°	113.7°
O3	C1	C2	H5	124.3°	128.0°
O3	C1	C3	H5	121.0°	121.9°
O3	C1	C3	C	63.6°	73.0°
O3	C1	C2	O4	38.7°	21.0°
O3	C1	C2	C4	152.9°	139.4°
O3	C1	C3	O5	171.3°	162.9°
O3	C1	C2	H3	87.8°	102.1°
O3	C1	C3	H6	55.3°	46.5°
C6	N3	C7	H10	180.0°	179.9°
N3	C6	N1	C5	0.9°	0.1°
C6	N3	C7	O6	179.7°	180.0°
C6	N3	C7	C8	0.7°	0.0°
N3	C6	N2	H8	180.0°	0.1°
N3	C6	N2	H9	0.0°	180.0°
N1	C6	N3	C7	0.2°	0.1°
C6	N1	C5	C8	0.7°	0.0°
C6	N1	C5	N	179.4°	179.7°
N1	C6	N3	H10	179.8°	180.0°
N1	C6	N2	H8	0.0°	179.9°
N1	C6	N2	H9	180.0°	0.0°
O1	C	C3	C1	58.2°	67.5°
O1	C	C3	H1	119.4°	119.2°
O1	C	C3	H	119.4°	119.4°
O1	C	C3	O5	176.7°	176.9°
O1	C	C3	H6	60.8°	51.8°
O1	C	H1	H	121.8°	121.4°
N3	C7	O6	C8	179.0°	180.0°
N3	C7	C8	C5	0.8°	0.0°
N3	C7	C8	N4	179.6°	179.9°
C2	C1	C3	H5	113.2°	118.2°
C2	C1	C3	C	170.6°	167.1°
C1	C2	O4	C4	110.9°	113.8°
C1	C2	O4	H3	125.7°	123.2°
C1	C2	C4	H3	119.3°	118.6°
C2	C1	C3	O5	45.6°	43.0°
C1	C2	C4	O5	6.7°	1.3°
C1	C2	C4	N	115.0°	118.2°
C1	C2	C4	H7	125.0°	120.8°
C1	C2	O4	HO4	180.0°	175.3°
C2	C1	C3	H6	70.5°	73.4°
C1	C3	C	O5	118.5°	115.6°
C1	C3	C	H6	119.0°	119.4°
C3	C1	C2	O4	83.8°	92.7°
C3	C1	C2	C4	30.4°	25.8°
C1	C3	O5	H6	115.3°	116.3°
C1	C3	O5	C4	41.9°	43.5°
C3	C1	C2	H3	149.7°	144.2°
C1	C3	C	H1	177.6°	51.7°
C1	C3	C	H	61.2°	173.1°
N1	C5	C8	C7	0.1°	0.0°
N1	C5	C8	N	179.0°	179.7°
N1	C5	C8	N4	179.3°	179.9°
N1	C5	N	C4	2.1°	0.0°
N1	C5	N	C9	179.0°	180.0°
C	C3	O5	H6	121.9°	125.1°
C	C3	O5	C4	164.6°	162.1°
C3	C	H1	H	121.8°	121.4°
C	C3	C1	H5	57.4°	48.9°
O4	C2	C4	H3	124.2°	123.0°
O4	C2	C4	O5	109.8°	117.1°
O4	C2	C4	N	128.5°	123.4°
O4	C2	C4	H7	8.6°	2.3°
O4	C2	C1	H5	163.0°	149.0°
C2	C4	O5	C3	21.6°	26.7°
C2	C4	N	C5	56.6°	105.4°
C2	C4	O5	N	123.6°	119.5°
C2	C4	O5	H7	117.7°	119.5°
C2	C4	N	H7	119.6°	121.1°
C2	C4	N	C9	124.8°	74.7°
C4	C2	O4	HO4	69.1°	61.5°
C4	C2	C1	H5	82.8°	92.6°
C3	O5	C4	N	145.2°	146.2°
C3	O5	C4	H7	96.1°	92.8°
O5	C3	C	H1	63.9°	63.8°
O5	C3	C	H	57.4°	57.5°
O5	C3	C1	H5	67.6°	75.2°
O6	C7	C8	C5	179.8°	180.0°
O6	C7	C8	N4	1.3°	0.0°
O6	C7	N3	H10	0.3°	0.1°
C7	C8	C5	N4	179.1°	179.9°
C7	C8	C5	N	178.9°	179.7°
C7	C8	N4	C9	178.8°	180.0°
C8	C7	N3	H10	179.3°	180.0°
C8	C5	N	C4	179.1°	179.7°
C8	C5	N	C9	0.2°	0.4°
C5	C8	N4	C9	0.1°	0.0°
C5	N	C4	O5	64.8°	136.7°
N	C5	C8	N4	0.2°	0.2°
C5	N	C4	C9	178.6°	179.9°
C5	N	C9	N4	0.1°	0.4°
C5	N	C9	BR	179.7°	179.8°
C5	N	C4	H7	176.2°	15.7°
O5	C4	N	H7	119.0°	121.1°
O5	C4	N	C9	113.8°	43.2°
O5	C4	C2	H3	126.0°	119.9°
C4	O5	C3	H6	73.4°	72.8°
C8	N4	C9	N	0.0°	0.3°
C8	N4	C9	BR	179.6°	180.0°
C4	N	C9	N4	179.0°	179.7°
C4	N	C9	BR	1.4°	0.1°
N	C4	C2	H3	4.3°	0.4°
N	C9	N4	BR	179.6°	179.7°
C9	N	C4	H7	5.2°	164.2°
H7	C4	C2	H3	115.6°	120.7°
H3	C2	O4	HO4	54.3°	61.5°
H3	C2	C1	H5	36.5°	25.9°
H6	C3	C	H1	58.6°	171.1°
H6	C3	C	H	179.9°	67.6°
H6	C3	C1	H5	176.4°	168.4°

Release date:	2017-04-19
Definition date:	2016-04-13
Last modified:	2017-04-14
Release status:	REL
Processing site:	RCSB
Derived from:	5JAX