GK3

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N5	C5	trip	1.14Å	1.33Å
C5	C18	sing	1.43Å	1.48Å
C2	C18	doub	1.40Å	1.41Å	Aromatic
C2	C29	sing	1.38Å	1.40Å	Aromatic
C18	C22	sing	1.40Å	1.41Å	Aromatic
C29	C19	doub	1.38Å	1.41Å	Aromatic
C22	C15	doub	1.39Å	1.40Å	Aromatic
C19	C15	sing	1.39Å	1.41Å	Aromatic
C15	N3	sing	1.40Å	1.37Å
N3	C3	sing	1.35Å	1.35Å
C1	C23	sing	1.51Å	1.51Å
C3	O1	doub	1.22Å	1.34Å
C3	C25	sing	1.48Å	1.52Å
C9	C25	doub	1.40Å	1.40Å	Aromatic
C9	C27	sing	1.38Å	1.39Å	Aromatic
C25	C10	sing	1.40Å	1.40Å	Aromatic
C27	C13	doub	1.40Å	1.40Å	Aromatic
C23	C26	doub	1.38Å	1.39Å	Aromatic
C23	C28	sing	1.40Å	1.42Å	Aromatic
C26	C20	sing	1.38Å	1.37Å	Aromatic
C10	C16	doub	1.38Å	1.40Å	Aromatic
C13	C28	sing	1.48Å	1.40Å	Aromatic
C13	C16	sing	1.39Å	1.41Å	Aromatic
C28	C14	doub	1.39Å	1.39Å	Aromatic
C20	C17	doub	1.40Å	1.40Å	Aromatic
C14	C17	sing	1.39Å	1.39Å	Aromatic
C17	C12	sing	1.48Å	1.49Å	Aromatic
C12	O2	sing	1.35Å	1.25Å	Aromatic
C12	N7	doub	1.31Å	1.35Å	Aromatic
O2	C7	sing	1.34Å	1.24Å	Aromatic
N7	N4	sing	1.29Å	1.32Å	Aromatic
C7	C21	sing	1.51Å	1.50Å
C7	N4	doub	1.30Å	1.34Å	Aromatic
C2	H2	sing	1.08Å	1.08Å
C29	H29	sing	1.08Å	1.08Å
C19	H19	sing	1.08Å	1.08Å
C22	H22	sing	1.08Å	1.08Å
N3	HN3	sing	0.97Å	1.00Å
C9	H9	sing	1.08Å	1.08Å
C10	H10	sing	1.08Å	1.08Å
C16	H16	sing	1.08Å	1.08Å
C27	H27	sing	1.08Å	1.08Å
C14	H14	sing	1.08Å	1.08Å
C21	H21	sing	1.09Å	1.10Å
C21	H21A	sing	1.09Å	1.10Å
C21	H21B	sing	1.09Å	1.10Å
C20	H20	sing	1.08Å	1.08Å
C26	H26	sing	1.08Å	1.08Å
C1	H1	sing	1.09Å	1.10Å
C1	H1A	sing	1.09Å	1.10Å
C1	H1B	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N5	C5	C18	179.2°	180.0°
C5	C18	C2	120.4°	120.1°
C5	C18	C22	119.0°	120.1°
C18	C2	C29	119.4°	120.0°
C2	C18	C22	120.5°	119.7°
C18	C2	H2	120.3°	120.0°
C2	C29	C19	119.8°	120.2°
C29	C2	H2	120.3°	120.0°
C2	C29	H29	120.1°	119.9°
C18	C22	C15	120.6°	119.8°
C18	C22	H22	119.7°	120.1°
C29	C19	C15	121.5°	120.2°
C19	C29	H29	120.1°	119.9°
C29	C19	H19	119.2°	119.9°
C22	C15	C19	118.1°	120.0°
C22	C15	N3	122.8°	120.0°
C15	C22	H22	119.7°	120.1°
C19	C15	N3	119.1°	119.9°
C15	C19	H19	119.3°	119.9°
C15	N3	C3	128.1°	120.0°
C15	N3	HN3	116.0°	120.0°
N3	C3	O1	123.8°	120.0°
N3	C3	C25	119.2°	120.0°
C3	N3	HN3	116.0°	120.0°
C1	C23	C26	115.3°	119.9°
C1	C23	C28	123.5°	119.9°
C23	C1	H1	109.5°	109.5°
C23	C1	H1A	109.4°	109.5°
C23	C1	H1B	109.4°	109.4°
O1	C3	C25	116.8°	120.0°
C3	C25	C9	119.2°	120.0°
C3	C25	C10	121.1°	120.0°
C25	C9	C27	120.0°	120.0°
C9	C25	C10	119.7°	120.0°
C25	C9	H9	120.0°	120.0°
C9	C27	C13	120.4°	120.0°
C27	C9	H9	120.0°	120.0°
C9	C27	H27	119.8°	120.0°
C25	C10	C16	120.6°	120.0°
C25	C10	H10	119.7°	120.0°
C27	C13	C28	118.2°	119.9°
C27	C13	C16	119.9°	120.1°
C13	C27	H27	119.8°	120.0°
C26	C23	C28	121.2°	120.2°
C23	C26	C20	118.5°	120.2°
C23	C26	H26	120.7°	119.9°
C23	C28	C13	116.8°	120.0°
C23	C28	C14	119.9°	119.9°
C26	C20	C17	120.8°	120.2°
C26	C20	H20	119.6°	120.0°
C20	C26	H26	120.8°	119.9°
C10	C16	C13	119.4°	120.1°
C16	C10	H10	119.7°	120.1°
C10	C16	H16	120.3°	120.0°
C28	C13	C16	121.8°	120.0°
C13	C28	C14	123.3°	120.0°
C13	C16	H16	120.3°	120.0°
C28	C14	C17	117.7°	119.7°
C28	C14	H14	121.1°	120.2°
C20	C17	C14	121.8°	119.8°
C20	C17	C12	114.5°	120.1°
C17	C20	H20	119.6°	119.9°
C14	C17	C12	123.6°	120.1°
C17	C14	H14	121.1°	120.1°
C17	C12	O2	128.9°	126.4°
C17	C12	N7	117.6°	126.3°
O2	C12	N7	113.4°	107.2°
C12	O2	C7	103.3°	106.4°
C12	N7	N4	104.6°	109.2°
O2	C7	C21	120.8°	126.2°
O2	C7	N4	115.7°	107.6°
N7	N4	C7	102.9°	109.5°
C21	C7	N4	123.4°	126.2°
C7	C21	H21	109.5°	109.4°
C7	C21	H21A	109.5°	109.5°
C7	C21	H21B	109.4°	109.5°
H21	C21	H21A	109.4°	109.5°
H21	C21	H21B	109.5°	109.5°
H21A	C21	H21B	109.5°	109.5°
H1	C1	H1A	109.5°	109.5°
H1	C1	H1B	109.5°	109.4°
H1A	C1	H1B	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N5	C5	C18	C2	176.7°	44.3°
N5	C5	C18	C22	3.1°	135.4°
C5	C18	C2	C22	179.8°	179.8°
C5	C18	C2	C29	179.9°	180.0°
C5	C18	C22	C15	179.8°	179.7°
C5	C18	C2	H2	0.1°	0.0°
C5	C18	C22	H22	0.2°	0.0°
C18	C2	C29	H2	180.0°	179.9°
C18	C2	C29	C19	0.3°	0.0°
C2	C18	C22	C15	0.4°	0.5°
C18	C2	C29	H29	179.7°	180.0°
C2	C18	C22	H22	179.6°	179.7°
C29	C2	C18	C22	0.1°	0.2°
C2	C29	C19	H29	180.0°	180.0°
C2	C29	C19	C15	0.8°	0.0°
C2	C29	C19	H19	179.1°	179.9°
C18	C22	C15	H22	180.0°	179.8°
C18	C22	C15	C19	0.8°	0.5°
C18	C22	C15	N3	179.5°	179.7°
C22	C18	C2	H2	179.9°	179.7°
C29	C19	C15	C22	1.1°	0.3°
C29	C19	C15	H19	180.0°	179.9°
C29	C19	C15	N3	179.8°	179.9°
C19	C29	C2	H2	179.7°	180.0°
C22	C15	C19	N3	178.7°	179.8°
C22	C15	N3	C3	36.0°	33.4°
C22	C15	C19	H19	178.9°	179.8°
C22	C15	N3	HN3	143.9°	146.6°
C19	C15	N3	C3	145.3°	146.8°
C15	C19	C29	H29	179.2°	180.0°
C19	C15	C22	H22	179.1°	179.7°
C19	C15	N3	HN3	34.7°	33.2°
C15	N3	C3	HN3	180.0°	179.9°
C15	N3	C3	O1	2.3°	5.3°
C15	N3	C3	C25	177.9°	174.7°
N3	C15	C19	H19	0.2°	0.0°
N3	C15	C22	H22	0.5°	0.1°
N3	C3	O1	C25	175.7°	180.0°
N3	C3	C25	C9	9.9°	0.3°
N3	C3	C25	C10	172.2°	179.9°
C1	C23	C26	C28	179.3°	179.6°
C1	C23	C26	C20	179.9°	180.0°
C1	C23	C28	C13	1.3°	0.3°
C1	C23	C28	C14	179.5°	179.9°
C1	C23	C26	H26	0.1°	0.2°
C23	C1	H1	H1A	120.0°	120.1°
C23	C1	H1	H1B	120.0°	119.9°
C23	C1	H1A	H1B	120.0°	120.0°
O1	C3	C25	C9	166.0°	179.7°
O1	C3	C25	C10	11.9°	0.0°
O1	C3	N3	HN3	177.7°	174.7°
C3	C25	C9	C10	178.0°	179.8°
C3	C25	C9	C27	178.7°	180.0°
C3	C25	C10	C16	178.7°	180.0°
C25	C3	N3	HN3	2.1°	5.2°
C3	C25	C9	H9	1.3°	0.0°
C3	C25	C10	H10	1.3°	0.1°
C25	C9	C27	H9	180.0°	180.0°
C25	C9	C27	C13	0.4°	0.0°
C9	C25	C10	C16	0.8°	0.2°
C9	C25	C10	H10	179.2°	179.7°
C25	C9	C27	H27	179.6°	180.0°
C27	C9	C25	C10	0.8°	0.2°
C9	C27	C13	H27	180.0°	180.0°
C9	C27	C13	C28	176.6°	180.0°
C9	C27	C13	C16	1.6°	0.3°
C25	C10	C16	H10	180.0°	179.9°
C25	C10	C16	C13	0.5°	0.0°
C10	C25	C9	H9	179.2°	179.8°
C25	C10	C16	H16	179.5°	179.9°
C27	C13	C28	C23	93.2°	124.5°
C27	C13	C16	C10	1.6°	0.3°
C27	C13	C28	C16	174.9°	179.7°
C27	C13	C28	C14	84.9°	55.8°
C13	C27	C9	H9	179.6°	180.0°
C27	C13	C16	H16	178.3°	179.7°
C23	C26	C20	H26	180.0°	179.8°
C26	C23	C28	C13	179.5°	179.8°
C26	C23	C28	C14	1.3°	0.5°
C23	C26	C20	C17	0.1°	0.3°
C23	C26	C20	H20	179.9°	179.8°
C26	C23	C1	H1	103.5°	95.2°
C26	C23	C1	H1A	136.5°	144.7°
C26	C23	C1	H1B	16.5°	24.7°
C28	C23	C26	C20	0.6°	0.5°
C23	C28	C13	C14	178.1°	179.7°
C23	C28	C13	C16	81.7°	55.8°
C23	C28	C14	C17	1.2°	0.3°
C23	C28	C14	H14	178.8°	179.7°
C28	C23	C26	H26	179.4°	179.7°
C28	C23	C1	H1	75.7°	85.2°
C28	C23	C1	H1A	44.2°	34.9°
C28	C23	C1	H1B	164.3°	154.9°
C26	C20	C17	H20	180.0°	179.9°
C26	C20	C17	C14	0.1°	0.0°
C26	C20	C17	C12	176.7°	180.0°
C10	C16	C13	C28	176.5°	180.0°
C10	C16	C13	H16	180.0°	180.0°
C13	C28	C14	C17	179.3°	180.0°
C28	C13	C16	H16	3.5°	0.0°
C28	C13	C27	H27	3.3°	0.0°
C13	C28	C14	H14	0.7°	0.0°
C16	C13	C28	C14	100.2°	123.9°
C13	C16	C10	H10	179.6°	179.9°
C16	C13	C27	H27	178.3°	179.8°
C28	C14	C17	C20	0.5°	0.1°
C28	C14	C17	H14	180.0°	180.0°
C28	C14	C17	C12	175.8°	180.0°
C20	C17	C14	C12	176.3°	179.9°
C20	C17	C12	O2	31.8°	0.1°
C20	C17	C12	N7	147.1°	179.8°
C20	C17	C14	H14	179.4°	179.9°
C17	C20	C26	H26	180.0°	179.9°
C14	C17	C12	O2	151.7°	180.0°
C14	C17	C12	N7	29.5°	0.3°
C14	C17	C20	H20	179.9°	179.9°
C17	C12	O2	N7	178.8°	179.7°
C17	C12	O2	C7	178.8°	179.9°
C17	C12	N7	N4	178.7°	179.9°
C12	C17	C14	H14	4.2°	0.0°
C12	C17	C20	H20	3.3°	0.1°
O2	C12	N7	N4	0.3°	0.4°
C12	O2	C7	C21	179.9°	180.0°
C12	O2	C7	N4	0.2°	0.0°
N7	C12	O2	C7	0.1°	0.2°
C12	N7	N4	C7	0.3°	0.4°
O2	C7	N4	N7	0.3°	0.2°
O2	C7	C21	N4	179.7°	180.0°
O2	C7	C21	H21	36.9°	90.0°
O2	C7	C21	H21A	156.9°	150.0°
O2	C7	C21	H21B	83.1°	30.0°
N7	N4	C7	C21	180.0°	179.8°
C7	C21	H21	H21A	120.0°	120.0°
C7	C21	H21	H21B	120.0°	120.0°
C7	C21	H21A	H21B	120.0°	120.0°
N4	C7	C21	H21	143.4°	90.0°
N4	C7	C21	H21A	23.4°	30.0°
N4	C7	C21	H21B	96.6°	150.0°
H2	C2	C29	H29	0.3°	0.0°
H29	C29	C19	H19	0.8°	0.1°
H9	C9	C27	H27	0.4°	0.0°
H10	C10	C16	H16	0.5°	0.1°
H21	C21	H21A	H21B	120.0°	120.0°
H20	C20	C26	H26	0.1°	0.0°
H1	C1	H1A	H1B	120.0°	120.0°

Definition date:	2007-10-15
Last modified:	2011-06-04
Release status:	REL
Processing site:	PDBJ
Derived from:	2ZB0