5KR

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O19	C09	doub	1.22Å	1.26Å
C09	O15	sing	1.35Å	1.26Å
C09	C03	sing	1.47Å	1.53Å
BR1	C20	sing	1.89Å	1.94Å
C22	C03	doub	1.40Å	1.39Å	Aromatic
C22	C29	sing	1.38Å	1.39Å	Aromatic
C03	C07	sing	1.40Å	1.39Å	Aromatic
C29	C30	doub	1.39Å	1.38Å	Aromatic
C20	C25	doub	1.38Å	1.39Å	Aromatic
C20	C26	sing	1.38Å	1.38Å	Aromatic
C07	N05	sing	1.39Å	1.46Å
C07	C27	doub	1.39Å	1.39Å	Aromatic
C30	C27	sing	1.38Å	1.39Å	Aromatic
C25	C24	sing	1.38Å	1.38Å	Aromatic
N05	C04	sing	1.35Å	1.46Å
C26	C23	doub	1.38Å	1.38Å	Aromatic
C16	C17	doub	1.38Å	1.39Å	Aromatic
C16	C10	sing	1.40Å	1.39Å	Aromatic
C04	C10	sing	1.48Å	1.53Å
C04	O14	doub	1.21Å	1.19Å
C17	C13	sing	1.38Å	1.38Å	Aromatic
C24	C18	doub	1.39Å	1.38Å	Aromatic
C10	C08	doub	1.40Å	1.38Å	Aromatic
C23	C18	sing	1.39Å	1.38Å	Aromatic
C13	C28	sing	1.51Å	1.53Å
C13	C02	doub	1.38Å	1.38Å	Aromatic
C18	N06	sing	1.40Å	1.45Å
C08	C02	sing	1.38Å	1.39Å	Aromatic
C02	S01	sing	1.76Å	1.81Å
N06	S01	sing	1.66Å	1.71Å
S01	O12	doub	1.42Å	1.47Å
S01	O11	doub	1.42Å	1.46Å
C17	H1	sing	1.08Å	1.08Å
C22	H2	sing	1.08Å	1.08Å
C24	H3	sing	1.08Å	1.08Å
C26	H4	sing	1.08Å	1.08Å
C28	H5	sing	1.09Å	1.10Å
C28	H6	sing	1.09Å	1.10Å
C28	H7	sing	1.09Å	1.10Å
N05	H8	sing	0.97Å	1.00Å
N06	H9	sing	0.97Å	1.00Å
C08	H10	sing	1.08Å	1.08Å
O15	H11	sing	0.97Å	0.95Å
C16	H12	sing	1.08Å	1.08Å
C23	H13	sing	1.08Å	1.08Å
C25	H14	sing	1.08Å	1.08Å
C27	H15	sing	1.08Å	1.08Å
C29	H16	sing	1.08Å	1.08Å
C30	H17	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O19	C09	O15	120.1°	120.0°
O19	C09	C03	119.7°	120.0°
O15	C09	C03	120.3°	120.0°
C09	O15	H11	109.5°	117.0°
C09	C03	C22	119.6°	120.2°
C09	C03	C07	120.2°	120.2°
BR1	C20	C25	120.6°	119.9°
BR1	C20	C26	119.0°	120.0°
C03	C22	C29	119.8°	119.9°
C22	C03	C07	120.2°	119.6°
C03	C22	H2	120.1°	120.1°
C22	C29	C30	120.1°	120.3°
C29	C22	H2	120.1°	120.0°
C22	C29	H16	119.9°	119.8°
C03	C07	N05	118.9°	120.1°
C03	C07	C27	119.9°	119.7°
C29	C30	C27	120.1°	120.5°
C30	C29	H16	119.9°	119.9°
C29	C30	H17	120.0°	119.8°
C25	C20	C26	120.4°	120.1°
C20	C25	C24	119.6°	120.0°
C20	C25	H14	120.2°	119.9°
C20	C26	C23	120.2°	120.1°
C20	C26	H4	119.9°	119.9°
N05	C07	C27	121.2°	120.2°
C07	N05	C04	126.4°	120.0°
C07	N05	H8	116.8°	120.0°
C07	C27	C30	119.8°	120.1°
C07	C27	H15	120.1°	120.0°
C30	C27	H15	120.1°	120.0°
C27	C30	H17	119.9°	119.8°
C25	C24	C18	119.8°	120.0°
C25	C24	H3	120.1°	120.0°
C24	C25	H14	120.2°	120.0°
N05	C04	C10	116.8°	120.0°
N05	C04	O14	122.8°	120.0°
C04	N05	H8	116.8°	120.0°
C26	C23	C18	119.5°	119.9°
C23	C26	H4	119.9°	120.0°
C26	C23	H13	120.3°	120.1°
C17	C16	C10	120.2°	119.8°
C16	C17	C13	119.9°	120.2°
C16	C17	H1	120.0°	119.9°
C17	C16	H12	119.9°	120.1°
C16	C10	C04	119.6°	120.2°
C16	C10	C08	119.9°	119.7°
C10	C16	H12	119.9°	120.1°
C10	C04	O14	120.4°	120.0°
C04	C10	C08	120.4°	120.2°
C17	C13	C28	120.0°	119.9°
C17	C13	C02	119.7°	120.3°
C13	C17	H1	120.0°	119.9°
C24	C18	C23	120.6°	119.9°
C24	C18	N06	120.3°	120.1°
C18	C24	H3	120.1°	120.0°
C10	C08	C02	119.8°	119.9°
C10	C08	H10	120.1°	120.0°
C23	C18	N06	119.0°	120.0°
C18	C23	H13	120.2°	120.0°
C28	C13	C02	120.3°	119.8°
C13	C28	H5	109.5°	109.5°
C13	C28	H6	109.5°	109.4°
C13	C28	H7	109.4°	109.4°
C13	C02	C08	120.4°	120.1°
C13	C02	S01	120.4°	120.0°
C18	N06	S01	118.8°	120.0°
C18	N06	H9	107.1°	120.0°
C08	C02	S01	119.2°	119.9°
C02	C08	H10	120.1°	120.1°
C02	S01	N06	111.0°	107.2°
C02	S01	O12	110.7°	106.4°
C02	S01	O11	111.1°	106.4°
N06	S01	O12	111.7°	106.4°
N06	S01	O11	110.9°	106.4°
S01	N06	H9	107.1°	120.0°
O12	S01	O11	101.2°	123.1°
H5	C28	H6	109.5°	109.5°
H5	C28	H7	109.5°	109.5°
H6	C28	H7	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O19	C09	O15	C03	180.0°	180.0°
O19	C09	C03	C22	2.4°	174.4°
O19	C09	C03	C07	178.2°	5.6°
O19	C09	O15	H11	0.0°	0.0°
O15	C09	C03	C22	177.6°	5.6°
O15	C09	C03	C07	1.8°	174.4°
C09	C03	C22	C07	179.4°	180.0°
C09	C03	C22	C29	179.8°	180.0°
C09	C03	C07	N05	2.0°	0.0°
C09	C03	C07	C27	179.1°	180.0°
C09	C03	C22	H2	0.1°	0.3°
C03	C09	O15	H11	180.0°	180.0°
BR1	C20	C25	C26	179.6°	179.7°
BR1	C20	C25	C24	179.9°	179.8°
BR1	C20	C26	C23	179.9°	179.7°
BR1	C20	C26	H4	0.1°	0.2°
BR1	C20	C25	H14	0.1°	0.3°
C03	C22	C29	H2	180.0°	179.7°
C03	C22	C29	C30	0.1°	0.0°
C22	C03	C07	N05	178.6°	180.0°
C22	C03	C07	C27	1.5°	0.0°
C03	C22	C29	H16	179.9°	180.0°
C29	C22	C03	C07	0.8°	0.0°
C22	C29	C30	H16	180.0°	180.0°
C22	C29	C30	C27	0.2°	0.0°
C22	C29	C30	H17	179.8°	180.0°
C03	C07	N05	C27	177.1°	179.9°
C03	C07	C27	C30	1.6°	0.0°
C03	C07	N05	C04	158.8°	148.8°
C07	C03	C22	H2	179.2°	179.7°
C03	C07	N05	H8	21.1°	31.4°
C03	C07	C27	H15	178.4°	180.0°
C29	C30	C27	C07	0.9°	0.0°
C29	C30	C27	H17	180.0°	180.0°
C30	C29	C22	H2	179.9°	179.7°
C29	C30	C27	H15	179.1°	180.0°
C20	C25	C24	H14	180.0°	179.9°
C25	C20	C26	C23	0.3°	0.0°
C20	C25	C24	C18	0.1°	0.1°
C20	C25	C24	H3	179.9°	180.0°
C25	C20	C26	H4	179.7°	179.9°
C26	C20	C25	C24	0.2°	0.1°
C20	C26	C23	H4	180.0°	179.9°
C20	C26	C23	C18	0.2°	0.0°
C20	C26	C23	H13	179.9°	180.0°
C26	C20	C25	H14	179.8°	180.0°
N05	C07	C27	C30	178.6°	180.0°
C07	N05	C04	H8	180.0°	179.9°
C07	N05	C04	C10	178.0°	175.9°
C07	N05	C04	O14	1.2°	4.1°
N05	C07	C27	H15	1.4°	0.0°
C07	C27	C30	H15	180.0°	180.0°
C27	C07	N05	C04	24.1°	31.2°
C27	C07	N05	H8	155.9°	148.7°
C07	C27	C30	H17	179.1°	180.0°
C27	C30	C29	H16	179.8°	180.0°
C25	C24	C18	H3	180.0°	179.9°
C25	C24	C18	C23	0.0°	0.1°
C25	C24	C18	N06	179.8°	180.0°
N05	C04	C10	C16	10.8°	0.3°
N05	C04	C10	O14	179.1°	180.0°
N05	C04	C10	C08	167.3°	180.0°
C26	C23	C18	C24	0.0°	0.0°
C26	C23	C18	H13	180.0°	180.0°
C26	C23	C18	N06	179.8°	180.0°
C17	C16	C10	H12	180.0°	180.0°
C17	C16	C10	C04	179.2°	179.7°
C16	C17	C13	H1	180.0°	179.7°
C17	C16	C10	C08	1.0°	0.0°
C16	C17	C13	C28	179.9°	179.7°
C16	C17	C13	C02	0.1°	0.2°
C16	C10	C04	C08	178.2°	179.7°
C16	C10	C04	O14	170.0°	179.7°
C10	C16	C17	C13	0.6°	0.0°
C16	C10	C08	C02	0.9°	0.3°
C10	C16	C17	H1	179.4°	179.7°
C16	C10	C08	H10	179.1°	179.8°
C04	C10	C08	C02	179.1°	180.0°
C10	C04	N05	H8	2.1°	4.2°
C04	C10	C08	H10	0.9°	0.1°
C04	C10	C16	H12	0.8°	0.3°
O14	C04	C10	C08	11.8°	0.0°
O14	C04	N05	H8	178.8°	175.8°
C17	C13	C28	C02	179.8°	180.0°
C17	C13	C02	C08	0.0°	0.5°
C17	C13	C02	S01	180.0°	180.0°
C17	C13	C28	H5	89.9°	95.6°
C17	C13	C28	H6	150.1°	24.4°
C17	C13	C28	H7	30.1°	144.4°
C13	C17	C16	H12	179.4°	180.0°
C24	C18	C23	N06	179.8°	180.0°
C24	C18	N06	S01	157.3°	134.7°
C24	C18	N06	H9	36.0°	45.2°
C24	C18	C23	H13	180.0°	180.0°
C18	C24	C25	H14	179.9°	180.0°
C10	C08	C02	C13	0.4°	0.6°
C10	C08	C02	H10	180.0°	179.9°
C10	C08	C02	S01	179.6°	180.0°
C08	C10	C16	H12	179.0°	180.0°
C23	C18	N06	S01	22.5°	45.3°
C23	C18	C24	H3	180.0°	179.9°
C18	C23	C26	H4	179.9°	180.0°
C23	C18	N06	H9	143.8°	134.8°
C28	C13	C02	C08	179.8°	179.4°
C28	C13	C02	S01	0.2°	0.1°
C28	C13	C17	H1	0.1°	0.0°
C13	C28	H5	H6	120.0°	120.0°
C13	C28	H5	H7	120.0°	120.0°
C13	C28	H6	H7	120.0°	120.0°
C13	C02	C08	S01	180.0°	179.5°
C13	C02	S01	N06	50.6°	64.2°
C13	C02	S01	O12	175.2°	49.3°
C13	C02	S01	O11	73.2°	177.8°
C02	C13	C17	H1	179.9°	180.0°
C02	C13	C28	H5	89.9°	84.4°
C02	C13	C28	H6	30.1°	155.6°
C02	C13	C28	H7	150.1°	35.6°
C13	C02	C08	H10	179.6°	179.5°
C18	N06	S01	C02	57.5°	66.7°
C18	N06	S01	H9	121.3°	179.9°
C18	N06	S01	O12	66.6°	179.8°
C18	N06	S01	O11	178.6°	46.9°
N06	C18	C24	H3	0.2°	0.1°
N06	C18	C23	H13	0.2°	0.0°
C08	C02	S01	N06	129.4°	116.3°
C08	C02	S01	O12	4.8°	130.2°
C08	C02	S01	O11	106.8°	2.7°
C02	S01	N06	O12	124.0°	113.5°
C02	S01	N06	O11	123.9°	113.6°
C02	S01	O12	O11	117.8°	123.0°
C02	S01	N06	H9	63.8°	113.4°
S01	C02	C08	H10	0.4°	0.0°
N06	S01	O12	O11	118.0°	122.9°
O12	S01	N06	H9	172.1°	0.1°
O11	S01	N06	H9	60.1°	133.0°
H1	C17	C16	H12	0.6°	0.3°
H2	C22	C29	H16	0.1°	0.3°
H3	C24	C25	H14	0.1°	0.1°
H4	C26	C23	H13	0.1°	0.1°
H5	C28	H6	H7	120.0°	120.0°
H15	C27	C30	H17	0.9°	0.0°
H16	C29	C30	H17	0.2°	0.0°

Release date:	2016-01-27
Definition date:	2015-10-14
Last modified:	2016-01-22
Release status:	REL
Processing site:	RCSB
Derived from:	5E7N