8BJ

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O2	C3	sing	1.43Å	1.42Å
C4	C3	sing	1.52Å	1.53Å
C4	N	sing	1.46Å	1.47Å
C4	C8	sing	1.52Å	1.54Å
O	C	sing	1.43Å	1.43Å
C3	C2	sing	1.52Å	1.52Å
C2	O1	sing	1.43Å	1.42Å
C2	C1	sing	1.53Å	1.53Å
N	C5	sing	1.37Å	1.28Å
C8	O3	sing	1.40Å	1.43Å
C8	S	sing	1.82Å	1.80Å
O3	C1	sing	1.42Å	1.44Å
C1	C	sing	1.53Å	1.52Å
C5	S	sing	1.77Å	1.79Å
C5	N1	doub	1.30Å	1.34Å
N1	C6	sing	1.47Å	1.46Å
C6	C7	sing	1.53Å	1.45Å
C1	H1	sing	1.09Å	1.10Å
C2	H2	sing	1.09Å	1.10Å
C3	H3	sing	1.09Å	1.10Å
C4	H4	sing	1.09Å	1.10Å
O1	H5	sing	0.97Å	0.95Å
O2	H6	sing	0.97Å	0.95Å
C6	H7	sing	1.09Å	1.10Å
C6	H8	sing	1.09Å	1.10Å
C7	H9	sing	1.09Å	1.10Å
C7	H10	sing	1.09Å	1.10Å
C7	H11	sing	1.09Å	1.10Å
C8	H12	sing	1.09Å	1.10Å
C	H13	sing	1.09Å	1.10Å
C	H14	sing	1.09Å	1.10Å
O	H15	sing	0.97Å	0.95Å
N	H16	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O2	C3	C4	107.5°	108.9°
O2	C3	C2	108.7°	109.0°
O2	C3	H3	110.8°	108.9°
C3	O2	H6	109.5°	114.1°
C3	C4	N	101.8°	108.9°
C3	C4	C8	111.9°	114.4°
C4	C3	C2	111.2°	112.0°
C4	C3	H3	109.3°	109.0°
C3	C4	H4	110.9°	108.0°
N	C4	C8	109.5°	110.0°
C4	N	C5	113.6°	117.3°
N	C4	H4	111.7°	107.9°
C4	N	H16	123.2°	121.4°
C4	C8	O3	121.1°	118.1°
C4	C8	S	107.2°	103.2°
C8	C4	H4	110.7°	107.3°
C4	C8	H12	108.1°	108.1°
O	C	C1	113.0°	109.5°
O	C	H13	108.6°	109.5°
O	C	H14	108.6°	109.5°
C	O	H15	109.5°	114.0°
C3	C2	O1	108.4°	109.7°
C3	C2	C1	110.3°	108.2°
C3	C2	H2	109.2°	109.7°
C2	C3	H3	109.4°	109.0°
O1	C2	C1	109.5°	109.7°
O1	C2	H2	110.5°	109.7°
C2	O1	H5	109.5°	114.0°
C2	C1	O3	111.7°	107.8°
C2	C1	C	113.0°	109.8°
C2	C1	H1	108.3°	109.8°
C1	C2	H2	109.0°	109.8°
N	C5	S	116.9°	108.2°
N	C5	N1	124.0°	125.9°
C5	N	H16	123.2°	121.3°
O3	C8	S	104.1°	111.8°
C8	O3	C1	119.5°	118.3°
O3	C8	H12	109.6°	108.2°
C8	S	C5	90.0°	94.2°
S	C8	H12	105.5°	107.0°
O3	C1	C	105.9°	109.8°
O3	C1	H1	109.4°	109.8°
C	C1	H1	108.4°	109.8°
C1	C	H13	108.6°	109.5°
C1	C	H14	108.6°	109.5°
S	C5	N1	119.1°	125.9°
C5	N1	C6	120.7°	120.0°
N1	C6	C7	112.5°	109.4°
N1	C6	H7	108.7°	109.5°
N1	C6	H8	108.7°	109.5°
C7	C6	H7	108.7°	109.5°
C7	C6	H8	108.7°	109.5°
C6	C7	H9	109.5°	109.5°
C6	C7	H10	109.5°	109.4°
C6	C7	H11	109.5°	109.4°
H7	C6	H8	109.5°	109.5°
H9	C7	H10	109.5°	109.5°
H9	C7	H11	109.5°	109.5°
H10	C7	H11	109.5°	109.5°
H13	C	H14	109.4°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O2	C3	C4	C2	118.8°	120.7°
O2	C3	C4	H3	120.3°	118.7°
O2	C3	C4	N	81.0°	79.1°
O2	C3	C4	C8	162.0°	157.3°
O2	C3	C2	H3	121.1°	118.7°
O2	C3	C2	O1	60.8°	63.4°
O2	C3	C2	C1	179.3°	176.9°
O2	C3	C2	H2	59.6°	57.2°
O2	C3	C4	H4	37.9°	37.9°
C3	C4	N	C8	118.6°	126.1°
C3	C4	N	H4	118.4°	117.0°
C3	C4	C8	H4	124.2°	119.8°
C4	C3	C2	H3	120.8°	120.7°
C4	C3	C2	O1	179.0°	176.0°
C4	C3	C2	C1	61.2°	56.3°
C3	C4	N	C5	104.0°	112.3°
C3	C4	C8	O3	24.2°	25.6°
C3	C4	C8	S	94.9°	98.2°
C4	C3	C2	H2	58.6°	63.4°
C4	C3	O2	H6	180.0°	177.5°
C3	C4	C8	H12	151.8°	148.7°
C3	C4	N	H16	76.0°	67.7°
N	C4	C8	H4	123.6°	117.2°
N	C4	C3	C2	160.1°	160.2°
C4	N	C5	H16	180.0°	180.0°
N	C4	C8	O3	136.3°	148.6°
N	C4	C8	S	17.3°	24.8°
C4	N	C5	S	5.0°	5.3°
C4	N	C5	N1	174.5°	174.7°
N	C4	C3	H3	39.3°	39.6°
N	C4	C8	H12	96.0°	88.3°
C8	C4	C3	C2	43.2°	36.7°
C8	C4	N	C5	14.6°	13.8°
C4	C8	O3	S	120.6°	119.4°
C4	C8	O3	H12	126.9°	123.0°
C4	C8	S	H12	115.1°	113.9°
C4	C8	O3	C1	22.2°	36.9°
C4	C8	S	C5	12.4°	24.3°
C8	C4	C3	H3	77.7°	84.0°
C8	C4	N	H16	165.4°	166.1°
O	C	C1	C2	56.7°	175.8°
O	C	C1	O3	65.9°	65.8°
O	C	C1	H13	120.5°	120.0°
O	C	C1	H14	120.5°	120.0°
O	C	C1	H1	176.7°	55.0°
O	C	H13	H14	118.4°	120.0°
C3	C2	O1	C1	120.4°	118.7°
C3	C2	O1	H2	119.6°	120.6°
C3	C2	C1	H2	119.8°	119.7°
C3	C2	C1	O3	57.5°	64.5°
C3	C2	C1	C	176.8°	175.9°
C3	C2	C1	H1	63.1°	55.1°
C2	C3	C4	H4	80.9°	82.8°
C3	C2	O1	H5	180.0°	178.7°
C2	C3	O2	H6	59.5°	59.9°
O1	C2	C1	H2	120.9°	120.6°
O1	C2	C1	O3	176.7°	175.9°
O1	C2	C1	C	64.0°	56.3°
O1	C2	C1	H1	56.1°	64.6°
O1	C2	C3	H3	60.3°	55.3°
C2	C1	O3	C8	37.9°	55.9°
C2	C1	O3	C	123.4°	119.6°
C2	C1	O3	H1	119.9°	119.6°
C2	C1	C	H1	120.0°	120.8°
C1	C2	C3	H3	59.6°	64.4°
C1	C2	O1	H5	59.6°	60.0°
C2	C1	C	H13	63.8°	55.8°
C2	C1	C	H14	177.2°	64.2°
N	C5	S	C8	5.1°	18.0°
N	C5	S	N1	179.5°	180.0°
N	C5	N1	C6	179.7°	180.0°
C5	N	C4	H4	137.6°	130.7°
O3	C8	S	H12	115.4°	118.3°
C8	O3	C1	C	161.3°	175.5°
O3	C8	S	C5	141.9°	152.2°
C8	O3	C1	H1	82.0°	63.7°
O3	C8	C4	H4	100.1°	94.2°
S	C8	O3	C1	98.3°	82.5°
C8	S	C5	N1	175.4°	162.0°
S	C8	C4	H4	140.9°	142.0°
O3	C1	C	H1	117.4°	120.8°
O3	C1	C2	H2	62.4°	55.2°
C1	O3	C8	H12	149.2°	159.9°
O3	C1	C	H13	173.6°	174.2°
O3	C1	C	H14	54.6°	54.2°
C	C1	C2	H2	56.9°	64.4°
C1	C	H13	H14	118.4°	120.0°
C1	C	O	H15	180.0°	180.0°
S	C5	N1	C6	0.8°	0.0°
C5	S	C8	H12	102.7°	89.6°
S	C5	N	H16	175.0°	174.7°
C5	N1	C6	C7	141.2°	115.0°
C5	N1	C6	H7	20.8°	5.0°
C5	N1	C6	H8	98.3°	125.0°
N1	C5	N	H16	5.5°	5.3°
N1	C6	C7	H7	120.5°	120.0°
N1	C6	C7	H8	120.4°	120.0°
N1	C6	H7	H8	118.6°	120.1°
N1	C6	C7	H9	180.0°	60.0°
N1	C6	C7	H10	60.0°	60.0°
N1	C6	C7	H11	60.0°	180.0°
C7	C6	H7	H8	118.6°	120.0°
C6	C7	H9	H10	120.0°	120.0°
C6	C7	H9	H11	120.0°	120.0°
C6	C7	H10	H11	120.0°	120.0°
H1	C1	C2	H2	177.0°	174.8°
H1	C1	C	H13	56.2°	65.0°
H1	C1	C	H14	62.7°	175.0°
H2	C2	C3	H3	179.3°	175.9°
H2	C2	O1	H5	60.4°	60.7°
H3	C3	C4	H4	158.2°	156.5°
H3	C3	O2	H6	60.7°	58.8°
H4	C4	C8	H12	27.5°	28.9°
H4	C4	N	H16	42.4°	49.3°
H7	C6	C7	H9	59.5°	60.0°
H7	C6	C7	H10	179.6°	180.0°
H7	C6	C7	H11	60.5°	60.0°
H8	C6	C7	H9	59.6°	180.0°
H8	C6	C7	H10	60.4°	60.0°
H8	C6	C7	H11	179.6°	60.0°
H9	C7	H10	H11	120.0°	120.1°
H13	C	O	H15	59.5°	60.0°
H14	C	O	H15	59.4°	60.0°

Release date:	2017-03-29
Definition date:	2017-01-17
Last modified:	2020-06-17
Release status:	REL
Processing site:	RCSB
Derived from:	5UHL