5NB

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N6	C6	sing	1.38Å	1.31Å
C6	N1	doub	1.33Å	1.31Å	Aromatic
C6	C5	sing	1.41Å	1.37Å	Aromatic
N1	C2	sing	1.32Å	1.31Å	Aromatic
N7	C5	sing	1.35Å	1.31Å	Aromatic
N7	C8	doub	1.30Å	1.31Å	Aromatic
C5	C4	doub	1.40Å	1.37Å	Aromatic
C2	N3	doub	1.32Å	1.30Å	Aromatic
C8	BR8	sing	1.89Å	1.86Å
C8	N9	sing	1.36Å	1.31Å	Aromatic
C4	N3	sing	1.33Å	1.33Å	Aromatic
C4	N9	sing	1.37Å	1.32Å	Aromatic
O2'	C2'	sing	1.43Å	1.41Å
N9	C1'	sing	1.46Å	1.45Å
C2'	C1'	sing	1.54Å	1.49Å
C2'	C3'	sing	1.54Å	1.52Å
C1'	O4'	sing	1.44Å	1.43Å
C3'	O3'	sing	1.43Å	1.41Å
C3'	C4'	sing	1.54Å	1.51Å
O4'	C4'	sing	1.44Å	1.40Å
C4'	C5'	sing	1.53Å	1.50Å
C5'	N5'	sing	1.47Å	1.46Å
O2'	H1	sing	0.97Å	0.95Å
C2'	H2	sing	1.09Å	1.10Å
C3'	H3	sing	1.09Å	1.10Å
O3'	H4	sing	0.97Å	0.95Å
C4'	H5	sing	1.09Å	1.10Å
C5'	H6	sing	1.09Å	1.10Å
C5'	H7	sing	1.09Å	1.10Å
N5'	H8	sing	1.01Å	1.00Å
N5'	H9	sing	1.01Å	1.00Å
C1'	H11	sing	1.09Å	1.10Å
C2	H12	sing	1.08Å	1.08Å
N6	H13	sing	0.97Å	1.00Å
N6	H14	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N6	C6	N1	119.3°	120.8°
N6	C6	C5	122.2°	120.8°
C6	N6	H13	109.5°	120.0°
C6	N6	H14	109.4°	120.0°
N1	C6	C5	118.5°	118.5°
C6	N1	C2	120.8°	121.2°
C6	C5	N7	133.1°	134.7°
C6	C5	C4	119.2°	118.2°
N1	C2	N3	122.9°	122.5°
N1	C2	H12	118.6°	118.8°
C5	N7	C8	107.0°	109.4°
N7	C5	C4	107.7°	107.2°
N7	C8	BR8	125.6°	125.0°
N7	C8	N9	111.2°	110.0°
C5	C4	N3	119.1°	119.1°
C5	C4	N9	107.1°	106.0°
C2	N3	C4	119.6°	120.6°
N3	C2	H12	118.5°	118.7°
BR8	C8	N9	123.3°	125.0°
C8	N9	C4	107.0°	107.4°
C8	N9	C1'	124.0°	126.3°
N3	C4	N9	133.9°	134.9°
C4	N9	C1'	128.9°	126.2°
O2'	C2'	C1'	106.5°	110.5°
O2'	C2'	C3'	111.0°	110.5°
C2'	O2'	H1	109.5°	113.9°
O2'	C2'	H2	112.7°	110.4°
N9	C1'	C2'	111.0°	110.4°
N9	C1'	O4'	106.6°	110.3°
N9	C1'	H11	110.7°	110.5°
C1'	C2'	C3'	103.9°	104.1°
C2'	C1'	O4'	107.2°	104.8°
C1'	C2'	H2	111.4°	110.5°
C2'	C1'	H11	110.2°	110.4°
C2'	C3'	O3'	110.6°	110.5°
C2'	C3'	C4'	105.1°	104.1°
C3'	C2'	H2	110.9°	110.7°
C2'	C3'	H3	110.2°	110.5°
C1'	O4'	C4'	111.6°	105.3°
O4'	C1'	H11	111.1°	110.3°
O3'	C3'	C4'	108.5°	110.5°
O3'	C3'	H3	111.9°	110.4°
C3'	O3'	H4	109.5°	114.0°
C3'	C4'	O4'	106.9°	104.8°
C3'	C4'	C5'	105.4°	110.4°
C4'	C3'	H3	110.4°	110.6°
C3'	C4'	H5	111.4°	110.4°
O4'	C4'	C5'	108.3°	110.4°
O4'	C4'	H5	113.0°	110.5°
C4'	C5'	N5'	111.4°	109.5°
C5'	C4'	H5	111.5°	110.3°
C4'	C5'	H6	109.0°	109.5°
C4'	C5'	H7	109.0°	109.5°
N5'	C5'	H6	109.0°	109.4°
N5'	C5'	H7	109.0°	109.4°
C5'	N5'	H8	109.5°	111.0°
C5'	N5'	H9	109.5°	111.0°
H6	C5'	H7	109.5°	109.5°
H8	N5'	H9	109.4°	111.1°
H13	N6	H14	109.4°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N6	C6	N1	C5	179.9°	179.6°
N6	C6	N1	C2	179.8°	180.0°
N6	C6	C5	N7	0.3°	0.3°
N6	C6	C5	C4	179.9°	180.0°
C6	N6	H13	H14	120.0°	179.9°
N1	C6	C5	N7	179.7°	179.9°
N1	C6	C5	C4	0.2°	0.4°
C6	N1	C2	N3	0.4°	0.1°
C6	N1	C2	H12	179.6°	179.8°
N1	C6	N6	H13	0.0°	0.1°
N1	C6	N6	H14	120.0°	180.0°
C5	C6	N1	C2	0.3°	0.4°
C6	C5	N7	C4	179.6°	179.7°
C6	C5	N7	C8	179.5°	180.0°
C6	C5	C4	N3	0.0°	0.2°
C6	C5	C4	N9	179.3°	179.8°
C5	C6	N6	H13	179.9°	179.6°
C5	C6	N6	H14	60.1°	0.4°
N1	C2	N3	H12	180.0°	179.9°
N1	C2	N3	C4	0.2°	0.1°
C5	N7	C8	BR8	179.5°	180.0°
C5	N7	C8	N9	0.2°	0.1°
N7	C5	C4	N3	179.7°	180.0°
N7	C5	C4	N9	0.4°	0.4°
C8	N7	C5	C4	0.1°	0.3°
N7	C8	BR8	N9	179.7°	179.9°
N7	C8	N9	C4	0.4°	0.2°
N7	C8	N9	C1'	178.7°	180.0°
C5	C4	N3	C2	0.1°	0.0°
C5	C4	N9	C8	0.5°	0.4°
C5	C4	N3	N9	179.1°	179.5°
C5	C4	N9	C1'	178.6°	179.8°
C2	N3	C4	N9	179.0°	179.4°
BR8	C8	N9	C4	179.3°	179.7°
BR8	C8	N9	C1'	1.0°	0.0°
C8	N9	C4	N3	179.7°	179.9°
C8	N9	C4	C1'	178.1°	179.8°
C8	N9	C1'	C2'	140.0°	75.0°
C8	N9	C1'	O4'	103.5°	40.4°
C8	N9	C1'	H11	17.4°	162.6°
N3	C4	N9	C1'	2.2°	0.3°
C4	N3	C2	H12	179.8°	180.0°
C4	N9	C1'	C2'	42.1°	104.8°
C4	N9	C1'	O4'	74.3°	139.9°
C4	N9	C1'	H11	164.8°	17.6°
O2'	C2'	C1'	N9	105.5°	98.6°
O2'	C2'	C1'	C3'	117.2°	118.7°
O2'	C2'	C1'	H2	123.3°	122.5°
O2'	C2'	C3'	H2	126.1°	122.6°
O2'	C2'	C1'	O4'	138.4°	142.6°
O2'	C2'	C3'	O3'	19.8°	0.0°
O2'	C2'	C3'	C4'	136.7°	118.6°
O2'	C2'	C3'	H3	104.5°	122.6°
O2'	C2'	C1'	H11	17.4°	23.9°
N9	C1'	C2'	O4'	116.1°	118.8°
N9	C1'	C2'	H11	122.9°	122.4°
N9	C1'	C2'	C3'	137.3°	142.8°
N9	C1'	O4'	H11	120.6°	122.4°
N9	C1'	O4'	C4'	130.7°	159.3°
N9	C1'	C2'	H2	17.7°	23.9°
C1'	C2'	C3'	H2	119.8°	118.7°
C2'	C1'	O4'	H11	120.4°	118.8°
C1'	C2'	C3'	O3'	94.2°	118.6°
C1'	C2'	C3'	C4'	22.6°	0.0°
C2'	C1'	O4'	C4'	11.8°	40.5°
C1'	C2'	O2'	H1	180.0°	180.0°
C1'	C2'	C3'	H3	141.5°	118.8°
C3'	C2'	C1'	O4'	21.2°	24.0°
C2'	C3'	O3'	C4'	114.7°	114.7°
C2'	C3'	O3'	H3	123.3°	122.6°
C2'	C3'	C4'	H3	118.8°	118.7°
C2'	C3'	C4'	O4'	16.2°	23.9°
C2'	C3'	C4'	C5'	98.8°	142.8°
C3'	C2'	O2'	H1	67.5°	65.4°
C2'	C3'	O3'	H4	180.0°	61.4°
C2'	C3'	C4'	H5	140.2°	95.0°
C3'	C2'	C1'	H11	99.8°	94.8°
C1'	O4'	C4'	C3'	3.1°	40.5°
C1'	O4'	C4'	C5'	110.0°	159.3°
O4'	C1'	C2'	H2	98.3°	94.9°
C1'	O4'	C4'	H5	126.0°	78.4°
O3'	C3'	C4'	H3	123.0°	122.6°
O3'	C3'	C4'	O4'	102.0°	142.6°
O3'	C3'	C4'	C5'	142.9°	98.5°
O3'	C3'	C2'	H2	146.0°	122.6°
O3'	C3'	C4'	H5	21.9°	23.7°
C3'	C4'	O4'	C5'	113.1°	118.9°
C3'	C4'	O4'	H5	122.9°	118.9°
C3'	C4'	C5'	H5	121.0°	122.2°
C3'	C4'	C5'	N5'	163.3°	175.0°
C4'	C3'	C2'	H2	97.2°	118.7°
C4'	C3'	O3'	H4	65.3°	176.1°
C3'	C4'	C5'	H6	76.5°	55.0°
C3'	C4'	C5'	H7	43.0°	65.1°
O4'	C4'	C5'	H5	124.9°	122.4°
O4'	C4'	C5'	N5'	49.1°	69.6°
O4'	C4'	C3'	H3	135.0°	94.7°
O4'	C4'	C5'	H6	169.4°	170.4°
O4'	C4'	C5'	H7	71.1°	50.4°
C4'	O4'	C1'	H11	108.6°	78.3°
C4'	C5'	N5'	H6	120.3°	120.0°
C4'	C5'	N5'	H7	120.3°	120.0°
C5'	C4'	C3'	H3	20.0°	24.1°
C4'	C5'	H6	H7	119.1°	120.1°
C4'	C5'	N5'	H8	180.0°	56.0°
C4'	C5'	N5'	H9	60.0°	180.0°
N5'	C5'	C4'	H5	75.8°	52.8°
N5'	C5'	H6	H7	119.1°	119.9°
C5'	N5'	H8	H9	120.0°	123.9°
H1	O2'	C2'	H2	57.6°	57.4°
H2	C2'	C3'	H3	21.7°	0.1°
H2	C2'	C1'	H11	140.7°	146.4°
H3	C3'	O3'	H4	56.7°	61.2°
H3	C3'	C4'	H5	101.0°	146.3°
H5	C4'	C5'	H6	44.5°	67.2°
H5	C4'	C5'	H7	163.9°	172.7°
H6	C5'	N5'	H8	59.7°	64.0°
H6	C5'	N5'	H9	179.7°	60.0°
H7	C5'	N5'	H8	59.7°	176.0°
H7	C5'	N5'	H9	60.3°	60.0°

Definition date:	2012-01-06
Last modified:	2012-03-09
Release status:	REL
Processing site:	RCSB
Derived from:	3V8N