MB7

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O14	S13	doub	1.42Å	1.43Å
O15	S13	doub	1.42Å	1.43Å
S13	C16	sing	1.76Å	1.59Å
S13	N12	sing	1.65Å	1.60Å
C17	C16	doub	1.38Å	1.39Å	Aromatic
C17	C18	sing	1.38Å	1.40Å	Aromatic
C16	C22	sing	1.38Å	1.40Å	Aromatic
C18	C19	doub	1.38Å	1.39Å	Aromatic
N12	C10	sing	1.35Å	1.33Å
O11	C10	doub	1.22Å	1.21Å
C10	N9	sing	1.35Å	1.33Å
C22	C21	doub	1.38Å	1.39Å	Aromatic
C19	C21	sing	1.38Å	1.39Å	Aromatic
C19	C20	sing	1.51Å	1.29Å
N9	C8	sing	1.40Å	1.37Å
C23	C8	doub	1.39Å	1.41Å	Aromatic
C23	N24	sing	1.32Å	1.37Å	Aromatic
C8	C7	sing	1.39Å	1.38Å	Aromatic
N24	C5	doub	1.32Å	1.38Å	Aromatic
C7	C6	doub	1.38Å	1.38Å	Aromatic
C5	C6	sing	1.38Å	1.38Å	Aromatic
C5	S1	sing	1.76Å	1.63Å
N4	S1	sing	1.66Å	1.60Å
O2	S1	doub	1.42Å	1.44Å
S1	O3	doub	1.42Å	1.43Å
C20	H1	sing	1.09Å	1.10Å
C20	H2	sing	1.09Å	1.10Å
C20	H3	sing	1.09Å	1.10Å
C18	H4	sing	1.08Å	1.08Å
C17	H5	sing	1.08Å	1.08Å
C21	H6	sing	1.08Å	1.08Å
C22	H7	sing	1.08Å	1.08Å
N12	H8	sing	0.97Å	1.00Å
N9	H9	sing	0.97Å	1.00Å
C7	H10	sing	1.08Å	1.08Å
C6	H11	sing	1.08Å	1.08Å
C23	H12	sing	1.08Å	1.08Å
N4	H13	sing	0.97Å	1.00Å
N4	H14	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O14	S13	O15	109.2°	123.1°
O14	S13	C16	113.3°	106.4°
O14	S13	N12	112.4°	106.4°
O15	S13	C16	110.7°	106.4°
O15	S13	N12	104.6°	106.5°
C16	S13	N12	106.2°	107.2°
S13	C16	C17	121.4°	120.0°
S13	C16	C22	118.8°	120.0°
S13	N12	C10	124.2°	120.1°
S13	N12	H8	117.9°	120.0°
C16	C17	C18	119.7°	120.0°
C17	C16	C22	119.8°	120.0°
C16	C17	H5	120.1°	120.0°
C17	C18	C19	120.5°	120.0°
C17	C18	H4	119.7°	120.0°
C18	C17	H5	120.1°	120.0°
C16	C22	C21	120.3°	119.9°
C16	C22	H7	119.9°	120.0°
C18	C19	C21	119.7°	120.0°
C18	C19	C20	124.3°	120.0°
C19	C18	H4	119.8°	120.0°
N12	C10	O11	122.6°	120.0°
N12	C10	N9	113.3°	120.0°
C10	N12	H8	117.9°	119.9°
O11	C10	N9	124.1°	120.0°
C10	N9	C8	128.9°	120.0°
C10	N9	H9	115.5°	120.0°
C22	C21	C19	120.0°	120.0°
C22	C21	H6	120.0°	120.0°
C21	C22	H7	119.8°	120.0°
C21	C19	C20	115.9°	120.0°
C19	C21	H6	120.0°	120.0°
C19	C20	H1	109.5°	109.5°
C19	C20	H2	109.5°	109.5°
C19	C20	H3	109.4°	109.5°
N9	C8	C23	129.8°	120.5°
N9	C8	C7	112.0°	120.5°
C8	N9	H9	115.6°	119.9°
C8	C23	N24	120.2°	120.7°
C23	C8	C7	118.1°	119.0°
C8	C23	H12	119.9°	119.7°
C23	N24	C5	121.4°	121.8°
N24	C23	H12	119.9°	119.7°
C8	C7	C6	120.5°	118.4°
C8	C7	H10	119.7°	120.8°
N24	C5	C6	118.4°	120.9°
N24	C5	S1	126.5°	119.5°
C7	C6	C5	121.4°	119.3°
C6	C7	H10	119.8°	120.9°
C7	C6	H11	119.3°	120.4°
C6	C5	S1	115.1°	119.6°
C5	C6	H11	119.3°	120.4°
C5	S1	N4	106.1°	107.2°
C5	S1	O2	110.1°	106.4°
C5	S1	O3	109.6°	106.4°
N4	S1	O2	111.4°	106.4°
N4	S1	O3	108.0°	106.4°
S1	N4	H13	109.5°	120.0°
S1	N4	H14	109.5°	120.0°
O2	S1	O3	111.6°	123.1°
H1	C20	H2	109.5°	109.4°
H1	C20	H3	109.4°	109.5°
H2	C20	H3	109.5°	109.5°
H13	N4	H14	109.5°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O14	S13	O15	C16	125.4°	122.9°
O14	S13	O15	N12	120.6°	123.0°
O14	S13	C16	N12	123.9°	113.5°
O14	S13	C16	C17	19.7°	156.5°
O14	S13	C16	C22	160.8°	23.3°
O14	S13	N12	C10	46.2°	48.5°
O14	S13	N12	H8	133.8°	131.5°
O15	S13	C16	N12	113.0°	113.6°
O15	S13	C16	C17	103.3°	23.6°
O15	S13	C16	C22	76.1°	156.2°
O15	S13	N12	C10	164.6°	178.5°
O15	S13	N12	H8	15.4°	1.5°
S13	C16	C17	C22	179.5°	179.8°
S13	C16	C17	C18	179.5°	180.0°
C16	S13	N12	C10	78.3°	65.0°
S13	C16	C22	C21	179.7°	179.8°
S13	C16	C17	H5	0.5°	0.0°
S13	C16	C22	H7	0.3°	0.2°
C16	S13	N12	H8	101.7°	115.0°
N12	S13	C16	C17	143.6°	90.0°
N12	S13	C16	C22	36.9°	90.2°
S13	N12	C10	H8	180.0°	180.0°
S13	N12	C10	O11	3.2°	0.0°
S13	N12	C10	N9	178.2°	180.0°
C16	C17	C18	H5	180.0°	180.0°
C16	C17	C18	C19	0.2°	0.0°
C17	C16	C22	C21	0.2°	0.5°
C16	C17	C18	H4	179.8°	180.0°
C17	C16	C22	H7	179.8°	180.0°
C18	C17	C16	C22	0.1°	0.2°
C17	C18	C19	H4	180.0°	180.0°
C17	C18	C19	C21	0.3°	0.1°
C17	C18	C19	C20	175.5°	179.7°
C16	C22	C21	H7	180.0°	179.5°
C16	C22	C21	C19	0.1°	0.5°
C22	C16	C17	H5	179.9°	179.7°
C16	C22	C21	H6	179.9°	179.5°
C18	C19	C21	C22	0.1°	0.3°
C18	C19	C21	C20	176.1°	179.7°
C18	C19	C20	H1	87.6°	89.7°
C18	C19	C20	H2	152.4°	30.3°
C18	C19	C20	H3	32.4°	150.3°
C19	C18	C17	H5	179.8°	179.9°
C18	C19	C21	H6	179.9°	179.7°
N12	C10	O11	N9	178.5°	179.9°
N12	C10	N9	C8	167.9°	175.3°
N12	C10	N9	H9	12.1°	4.6°
O11	C10	N9	C8	10.7°	4.7°
O11	C10	N12	H8	176.8°	179.9°
O11	C10	N9	H9	169.3°	175.3°
C10	N9	C8	H9	180.0°	179.9°
C10	N9	C8	C23	7.5°	145.3°
C10	N9	C8	C7	171.0°	35.0°
N9	C10	N12	H8	1.8°	0.0°
C22	C21	C19	H6	180.0°	180.0°
C22	C21	C19	C20	176.0°	180.0°
C21	C19	C20	H1	88.3°	90.0°
C21	C19	C20	H2	31.7°	150.1°
C21	C19	C20	H3	151.7°	30.1°
C21	C19	C18	H4	179.7°	180.0°
C19	C21	C22	H7	179.9°	180.0°
C19	C20	H1	H2	120.0°	120.0°
C19	C20	H1	H3	120.0°	120.1°
C19	C20	H2	H3	120.0°	120.0°
C20	C19	C18	H4	4.5°	0.3°
C20	C19	C21	H6	4.0°	0.1°
N9	C8	C23	C7	178.4°	179.7°
N9	C8	C23	N24	179.1°	180.0°
N9	C8	C7	C6	179.4°	180.0°
N9	C8	C7	H10	0.6°	0.0°
N9	C8	C23	H12	0.9°	0.0°
C8	C23	N24	H12	180.0°	179.9°
C8	C23	N24	C5	0.3°	0.1°
C23	C8	C7	C6	0.8°	0.3°
C23	C8	N9	H9	172.6°	34.7°
C23	C8	C7	H10	179.2°	179.8°
N24	C23	C8	C7	0.7°	0.2°
C23	N24	C5	C6	0.1°	0.4°
C23	N24	C5	S1	178.9°	180.0°
C8	C7	C6	H10	180.0°	179.9°
C8	C7	C6	C5	0.4°	0.0°
C7	C8	N9	H9	9.0°	145.1°
C8	C7	C6	H11	179.6°	179.9°
C7	C8	C23	H12	179.3°	179.7°
N24	C5	C6	C7	0.0°	0.3°
N24	C5	C6	S1	178.9°	179.6°
N24	C5	S1	N4	119.6°	30.1°
N24	C5	S1	O2	1.0°	143.6°
N24	C5	S1	O3	124.1°	83.5°
N24	C5	C6	H11	180.0°	179.7°
C5	N24	C23	H12	179.7°	180.0°
C7	C6	C5	H11	180.0°	180.0°
C7	C6	C5	S1	178.9°	179.9°
C6	C5	S1	N4	59.2°	150.3°
C6	C5	S1	O2	179.9°	36.8°
C6	C5	S1	O3	57.1°	96.1°
C5	C6	C7	H10	179.5°	179.9°
C5	S1	N4	O2	119.8°	113.5°
C5	S1	N4	O3	117.4°	113.6°
C5	S1	O2	O3	121.9°	123.0°
S1	C5	C6	H11	1.0°	0.1°
C5	S1	N4	H13	180.0°	150.0°
C5	S1	N4	H14	60.0°	30.0°
N4	S1	O2	O3	120.8°	123.0°
S1	N4	H13	H14	120.0°	180.0°
O2	S1	N4	H13	60.3°	36.5°
O2	S1	N4	H14	59.8°	143.5°
O3	S1	N4	H13	62.6°	96.4°
O3	S1	N4	H14	177.4°	83.6°
H1	C20	H2	H3	120.0°	120.0°
H4	C18	C17	H5	0.2°	0.0°
H6	C21	C22	H7	0.2°	0.0°
H10	C7	C6	H11	0.4°	0.0°

Release date:	2014-06-25
Definition date:	2013-05-23
Last modified:	2014-06-20
Release status:	REL
Processing site:	RCSB
Derived from:	4KV0