DRU

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C10	C9	doub	0.00Å	1.37Å	Aromatic
C10	C11	sing	0.00Å	1.39Å	Aromatic
C9	C8	sing	0.00Å	1.40Å	Aromatic
C11	C12	doub	0.00Å	1.38Å	Aromatic
C8	C7	sing	0.00Å	1.47Å
C8	N13	doub	0.00Å	1.36Å	Aromatic
C6	C7	doub	0.00Å	1.39Å	Aromatic
C6	C5	sing	0.00Å	1.37Å	Aromatic
C12	N13	sing	0.00Å	1.35Å	Aromatic
C7	N2	sing	0.00Å	1.35Å	Aromatic
C5	C4	doub	0.00Å	1.38Å	Aromatic
N13	RU	sing	0.00Å	2.04Å
N2	C3	doub	0.00Å	1.37Å	Aromatic
N2	RU	sing	0.00Å	2.07Å
C4	C3	sing	0.00Å	1.39Å	Aromatic
RU	N37	sing	0.00Å	2.08Å
RU	N26	sing	0.00Å	2.08Å
RU	ND1	sing	0.00Å	2.06Å
C36	N37	doub	0.00Å	1.36Å	Aromatic
C36	C35	sing	0.00Å	1.39Å	Aromatic
N37	C32	sing	0.00Å	1.36Å	Aromatic
C35	C34	doub	0.00Å	1.38Å	Aromatic
N26	C27	doub	0.00Å	1.36Å	Aromatic
N26	C31	sing	0.00Å	1.36Å	Aromatic
C27	C28	sing	0.00Å	1.37Å	Aromatic
ND1	CE1	sing	0.00Å	1.32Å	Aromatic
ND1	CG	sing	0.00Å	1.38Å	Aromatic
C32	C31	sing	0.00Å	1.47Å
C32	C33	doub	0.00Å	1.40Å	Aromatic
C34	C33	sing	0.00Å	1.37Å	Aromatic
C31	C30	doub	0.00Å	1.42Å	Aromatic
CE1	NE2	doub	0.00Å	1.32Å	Aromatic
C28	C29	doub	0.00Å	1.40Å	Aromatic
C30	C29	sing	0.00Å	1.37Å	Aromatic
CG	CD2	doub	0.00Å	1.35Å	Aromatic
NE2	CD2	sing	0.00Å	1.37Å	Aromatic
C3	H1	sing	0.00Å	1.08Å
C4	H2	sing	0.00Å	1.08Å
C5	H3	sing	0.00Å	1.08Å
C6	H4	sing	0.00Å	1.08Å
C9	H5	sing	0.00Å	1.08Å
C10	H6	sing	0.00Å	1.08Å
C11	H7	sing	0.00Å	1.08Å
C12	H8	sing	0.00Å	1.08Å
C27	H9	sing	0.00Å	1.08Å
C28	H10	sing	0.00Å	1.08Å
C29	H11	sing	0.00Å	1.08Å
C30	H12	sing	0.00Å	1.08Å
C33	H13	sing	0.00Å	1.08Å
C34	H14	sing	0.00Å	1.08Å
C35	H15	sing	0.00Å	1.08Å
C36	H16	sing	0.00Å	1.08Å
CG	H17	sing	0.00Å	1.08Å
CD2	H18	sing	0.00Å	1.08Å
CE1	H19	sing	0.00Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C9	C10	C11	119.8°	90.0°
C10	C9	C8	119.2°	90.0°
C10	C9	H5	120.4°	90.0°
C9	C10	H6	120.1°	90.0°
C10	C11	C12	119.2°	90.0°
C11	C10	H6	120.1°	90.0°
C10	C11	H7	120.4°	90.0°
C9	C8	C7	123.4°	90.0°
C9	C8	N13	120.5°	90.0°
C8	C9	H5	120.4°	90.0°
C11	C12	N13	121.2°	90.0°
C12	C11	H7	120.4°	90.0°
C11	C12	H8	119.4°	90.0°
C7	C8	N13	116.0°	90.0°
C8	C7	C6	125.2°	90.0°
C8	C7	N2	115.0°	90.0°
C8	N13	C12	120.1°	90.0°
C8	N13	RU	114.8°	90.0°
C7	C6	C5	120.2°	90.0°
C6	C7	N2	119.8°	90.0°
C7	C6	H4	119.9°	90.0°
C6	C5	C4	120.7°	90.0°
C6	C5	H3	119.7°	90.0°
C5	C6	H4	119.9°	90.0°
C12	N13	RU	125.1°	90.0°
N13	C12	H8	119.4°	90.0°
C7	N2	C3	119.6°	90.0°
C7	N2	RU	114.3°	90.0°
C5	C4	C3	117.7°	90.0°
C5	C4	H2	121.1°	90.0°
C4	C5	H3	119.6°	90.0°
N13	RU	N2	79.7°	90.0°
N13	RU	N37	98.5°	90.0°
N13	RU	N26	92.6°	90.0°
N13	RU	ND1	170.3°	90.0°
C3	N2	RU	126.0°	90.0°
N2	C3	C4	122.0°	90.0°
N2	C3	H1	119.0°	90.0°
N2	RU	N37	172.5°	90.0°
N2	RU	N26	94.1°	90.0°
N2	RU	ND1	91.0°	90.0°
C4	C3	H1	119.0°	90.0°
C3	C4	H2	121.2°	90.0°
N37	RU	N26	78.7°	90.0°
N37	RU	ND1	90.4°	90.0°
RU	N37	C36	125.9°	90.0°
RU	N37	C32	115.0°	90.0°
N26	RU	ND1	85.3°	90.0°
RU	N26	C27	124.4°	90.0°
RU	N26	C31	115.4°	90.0°
RU	ND1	CE1	142.8°	90.0°
RU	ND1	CG	120.4°	90.0°
N37	C36	C35	121.4°	90.0°
C36	N37	C32	119.1°	90.0°
N37	C36	H16	119.3°	90.0°
C36	C35	C34	119.3°	90.0°
C36	C35	H15	120.4°	90.0°
C35	C36	H16	119.3°	90.0°
N37	C32	C31	115.9°	90.0°
N37	C32	C33	121.0°	90.0°
C35	C34	C33	119.6°	90.0°
C35	C34	H14	120.2°	90.0°
C34	C35	H15	120.4°	90.0°
C27	N26	C31	120.1°	90.0°
N26	C27	C28	121.9°	90.0°
N26	C27	H9	119.1°	90.0°
N26	C31	C32	114.8°	90.0°
N26	C31	C30	120.2°	90.0°
C27	C28	C29	118.6°	90.0°
C28	C27	H9	119.1°	90.0°
C27	C28	H10	120.7°	90.0°
CE1	ND1	CG	96.6°	90.0°
ND1	CE1	NE2	120.0°	90.0°
ND1	CE1	H19	120.0°	90.0°
ND1	CG	CD2	115.5°	90.0°
ND1	CG	H17	122.3°	90.0°
C31	C32	C33	123.1°	90.0°
C32	C31	C30	125.0°	90.0°
C32	C33	C34	119.6°	90.0°
C32	C33	H13	120.2°	90.0°
C34	C33	H13	120.2°	90.0°
C33	C34	H14	120.2°	90.0°
C31	C30	C29	118.7°	90.0°
C31	C30	H12	120.7°	90.0°
CE1	NE2	CD2	103.5°	90.0°
NE2	CE1	H19	120.0°	90.0°
C28	C29	C30	120.5°	90.0°
C29	C28	H10	120.7°	90.0°
C28	C29	H11	119.7°	90.0°
C30	C29	H11	119.7°	90.0°
C29	C30	H12	120.6°	90.0°
CG	CD2	NE2	104.3°	90.0°
CD2	CG	H17	122.2°	90.0°
CG	CD2	H18	127.8°	90.0°
NE2	CD2	H18	127.8°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C9	C10	C11	H6	180.0°	90.0°
C10	C9	C8	H5	180.0°	90.0°
C9	C10	C11	C12	0.0°	90.0°
C10	C9	C8	C7	179.9°	90.0°
C10	C9	C8	N13	0.6°	90.0°
C9	C10	C11	H7	180.0°	90.0°
C11	C10	C9	C8	0.2°	90.0°
C10	C11	C12	H7	180.0°	90.0°
C10	C11	C12	N13	0.2°	90.0°
C11	C10	C9	H5	179.8°	90.0°
C10	C11	C12	H8	179.7°	90.0°
C9	C8	C7	N13	179.4°	90.0°
C9	C8	C7	C6	0.7°	90.0°
C9	C8	N13	C12	0.9°	90.0°
C9	C8	C7	N2	179.9°	90.0°
C9	C8	N13	RU	176.0°	90.0°
C8	C9	C10	H6	179.8°	90.0°
C11	C12	N13	C8	0.7°	90.0°
C11	C12	N13	H8	180.0°	90.0°
C11	C12	N13	RU	175.9°	90.0°
C12	C11	C10	H6	180.0°	90.0°
C8	C7	C6	N2	179.3°	90.0°
C8	C7	C6	C5	179.6°	90.0°
C7	C8	N13	C12	179.7°	90.0°
C7	C8	N13	RU	3.4°	90.0°
C8	C7	N2	C3	179.6°	90.0°
C8	C7	N2	RU	4.1°	90.0°
C8	C7	C6	H4	0.4°	90.0°
C7	C8	C9	H5	0.0°	90.0°
N13	C8	C7	C6	179.8°	90.0°
C8	N13	C12	RU	176.5°	90.0°
N13	C8	C7	N2	0.5°	90.0°
C8	N13	RU	N2	4.3°	90.0°
C8	N13	RU	N37	168.3°	90.0°
C8	N13	RU	N26	89.4°	90.0°
C8	N13	RU	ND1	11.9°	90.0°
N13	C8	C9	H5	179.4°	90.0°
C8	N13	C12	H8	179.3°	90.0°
C7	C6	C5	H4	180.0°	90.0°
C7	C6	C5	C4	0.2°	90.0°
C6	C7	N2	C3	0.2°	90.0°
C6	C7	N2	RU	176.5°	90.0°
C7	C6	C5	H3	179.8°	90.0°
C5	C6	C7	N2	0.3°	90.0°
C6	C5	C4	H3	180.0°	90.0°
C6	C5	C4	C3	0.2°	90.0°
C6	C5	C4	H2	179.9°	90.0°
C12	N13	RU	N2	179.0°	90.0°
C12	N13	RU	N37	8.4°	90.0°
C12	N13	RU	N26	87.3°	90.0°
C12	N13	RU	ND1	164.8°	90.0°
N13	C12	C11	H7	179.8°	90.0°
C7	N2	RU	N13	4.6°	90.0°
C7	N2	C3	RU	175.8°	90.0°
C7	N2	C3	C4	0.1°	90.0°
C7	N2	RU	N37	72.3°	90.0°
C7	N2	RU	N26	87.4°	90.0°
C7	N2	RU	ND1	172.7°	90.0°
C7	N2	C3	H1	179.9°	90.0°
N2	C7	C6	H4	179.7°	90.0°
C5	C4	C3	N2	0.1°	90.0°
C5	C4	C3	H2	180.0°	90.0°
C5	C4	C3	H1	179.9°	90.0°
C4	C5	C6	H4	179.7°	90.0°
N13	RU	N2	C3	179.4°	90.0°
N13	RU	N2	N37	76.8°	90.0°
N13	RU	N2	N26	91.9°	90.0°
N13	RU	N2	ND1	177.3°	90.0°
N13	RU	N37	N26	91.0°	90.0°
N13	RU	N37	ND1	176.1°	90.0°
N13	RU	N26	ND1	170.5°	90.0°
N13	RU	N37	C36	90.6°	90.0°
N13	RU	N37	C32	86.9°	90.0°
N13	RU	N26	C27	82.6°	90.0°
N13	RU	N26	C31	93.5°	90.0°
N13	RU	ND1	CE1	52.5°	90.0°
N13	RU	ND1	CG	133.9°	90.0°
RU	N13	C12	H8	4.1°	90.0°
N2	C3	C4	H1	180.0°	90.0°
C3	N2	RU	N37	103.8°	90.0°
C3	N2	RU	N26	88.7°	90.0°
C3	N2	RU	ND1	3.3°	90.0°
N2	C3	C4	H2	179.9°	90.0°
RU	N2	C3	C4	176.0°	90.0°
N2	RU	N37	N26	15.4°	90.0°
N2	RU	N37	ND1	100.5°	90.0°
N2	RU	N26	ND1	90.6°	90.0°
N2	RU	N37	C36	166.2°	90.0°
N2	RU	N37	C32	11.3°	90.0°
N2	RU	N26	C27	2.8°	90.0°
N2	RU	N26	C31	173.3°	90.0°
N2	RU	ND1	CE1	36.6°	90.0°
N2	RU	ND1	CG	149.8°	90.0°
RU	N2	C3	H1	4.0°	90.0°
C3	C4	C5	H3	179.8°	90.0°
N37	RU	N26	ND1	91.4°	90.0°
RU	N37	C36	C32	177.5°	90.0°
RU	N37	C36	C35	175.8°	90.0°
N37	RU	N26	C27	179.2°	90.0°
N37	RU	N26	C31	4.7°	90.0°
N37	RU	ND1	CE1	150.7°	90.0°
N37	RU	ND1	CG	22.8°	90.0°
RU	N37	C32	C31	3.0°	90.0°
RU	N37	C32	C33	175.4°	90.0°
RU	N37	C36	H16	4.2°	90.0°
N26	RU	N37	C36	178.4°	90.0°
N26	RU	N37	C32	4.1°	90.0°
RU	N26	C27	C31	175.9°	90.0°
RU	N26	C27	C28	175.4°	90.0°
N26	RU	ND1	CE1	130.6°	90.0°
N26	RU	ND1	CG	55.8°	90.0°
RU	N26	C31	C32	4.5°	90.0°
RU	N26	C31	C30	175.3°	90.0°
RU	N26	C27	H9	4.6°	90.0°
ND1	RU	N37	C36	93.2°	90.0°
ND1	RU	N37	C32	89.2°	90.0°
ND1	RU	N26	C27	87.9°	90.0°
ND1	RU	N26	C31	96.0°	90.0°
RU	ND1	CE1	CG	174.4°	90.0°
RU	ND1	CE1	NE2	174.3°	90.0°
RU	ND1	CG	CD2	176.1°	90.0°
RU	ND1	CG	H17	3.9°	90.0°
RU	ND1	CE1	H19	5.7°	90.0°
N37	C36	C35	H16	180.0°	90.0°
N37	C36	C35	C34	0.6°	90.0°
C36	N37	C32	C31	179.3°	90.0°
C36	N37	C32	C33	2.4°	90.0°
N37	C36	C35	H15	179.4°	90.0°
C35	C36	N37	C32	1.6°	90.0°
C36	C35	C34	H15	180.0°	90.0°
C36	C35	C34	C33	0.3°	90.0°
C36	C35	C34	H14	179.7°	90.0°
N37	C32	C31	N26	1.0°	90.0°
N37	C32	C31	C33	178.3°	90.0°
N37	C32	C33	C34	2.1°	90.0°
N37	C32	C31	C30	178.8°	90.0°
N37	C32	C33	H13	177.9°	90.0°
C32	N37	C36	H16	178.4°	90.0°
C35	C34	C33	C32	1.1°	90.0°
C35	C34	C33	H14	180.0°	90.0°
C35	C34	C33	H13	178.9°	90.0°
C34	C35	C36	H16	179.4°	90.0°
N26	C27	C28	H9	180.0°	90.0°
C27	N26	C31	C32	179.2°	90.0°
C27	N26	C31	C30	1.0°	90.0°
N26	C27	C28	C29	0.4°	90.0°
N26	C27	C28	H10	179.7°	90.0°
C31	N26	C27	C28	0.5°	90.0°
N26	C31	C32	C30	179.8°	90.0°
N26	C31	C32	C33	179.3°	90.0°
N26	C31	C30	C29	0.5°	90.0°
C31	N26	C27	H9	179.5°	90.0°
N26	C31	C30	H12	179.5°	90.0°
C27	C28	C29	H10	180.0°	90.0°
C27	C28	C29	C30	0.9°	90.0°
C27	C28	C29	H11	179.2°	90.0°
ND1	CE1	NE2	H19	180.0°	90.0°
CE1	ND1	CG	CD2	0.0°	90.0°
ND1	CE1	NE2	CD2	0.1°	90.0°
CE1	ND1	CG	H17	180.0°	90.0°
CG	ND1	CE1	NE2	0.1°	90.0°
ND1	CG	CD2	H17	180.0°	90.0°
ND1	CG	CD2	NE2	0.1°	90.0°
ND1	CG	CD2	H18	179.9°	90.0°
CG	ND1	CE1	H19	179.9°	90.0°
C31	C32	C33	C34	179.7°	90.0°
C32	C31	C30	C29	179.7°	90.0°
C32	C31	C30	H12	0.3°	90.0°
C31	C32	C33	H13	0.3°	90.0°
C32	C33	C34	H13	180.0°	90.0°
C33	C32	C31	C30	0.5°	90.0°
C32	C33	C34	H14	179.0°	90.0°
C33	C34	C35	H15	179.6°	90.0°
C31	C30	C29	C28	0.4°	90.0°
C31	C30	C29	H12	180.0°	90.0°
C31	C30	C29	H11	179.6°	90.0°
CE1	NE2	CD2	CG	0.1°	90.0°
CE1	NE2	CD2	H18	179.9°	90.0°
C28	C29	C30	H11	180.0°	90.0°
C29	C28	C27	H9	179.6°	90.0°
C28	C29	C30	H12	179.6°	90.0°
C30	C29	C28	H10	179.2°	90.0°
CG	CD2	NE2	H18	180.0°	90.0°
NE2	CD2	CG	H17	179.9°	90.0°
CD2	NE2	CE1	H19	179.9°	90.0°
H1	C3	C4	H2	0.1°	90.0°
H2	C4	C5	H3	0.1°	90.0°
H3	C5	C6	H4	0.3°	90.0°
H5	C9	C10	H6	0.2°	90.0°
H6	C10	C11	H7	0.0°	90.0°
H7	C11	C12	H8	0.3°	90.0°
H9	C27	C28	H10	0.3°	90.0°
H10	C28	C29	H11	0.8°	90.0°
H11	C29	C30	H12	0.4°	90.0°
H13	C33	C34	H14	1.0°	90.0°
H14	C34	C35	H15	0.3°	90.0°
H15	C35	C36	H16	0.6°	90.0°
H17	CG	CD2	H18	0.1°	90.0°

Definition date:	2011-10-25
Last modified:	2011-10-25
Release status:	REL
Processing site:	RCSB
Derived from:	1JZE