5EE

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
S19	O20	doub	1.42Å	1.43Å
S19	O21	doub	1.42Å	1.43Å
S19	N22	sing	1.66Å	1.74Å
S19	C24	sing	1.76Å	1.70Å
N22	N1	sing	1.40Å	1.50Å
N22	H22	sing	0.97Å	1.00Å
C24	S3	sing	1.79Å	1.71Å	Aromatic
C24	C30	doub	1.36Å	1.44Å	Aromatic
S3	C27	sing	1.79Å	1.71Å	Aromatic
C27	C29	doub	1.35Å	1.45Å	Aromatic
C27	H27	sing	1.08Å	1.08Å
C29	C30	sing	1.38Å	1.44Å	Aromatic
C29	H29	sing	1.08Å	1.08Å
C30	H30	sing	1.08Å	1.08Å
C1	C2	sing	1.51Å	1.52Å
C1	C14	sing	1.53Å	1.54Å
C1	H11	sing	1.09Å	1.10Å
C1	H12	sing	1.09Å	1.10Å
C2	C4	doub	1.38Å	1.40Å	Aromatic
C2	C3	sing	1.38Å	1.40Å	Aromatic
C4	C5	sing	1.38Å	1.40Å	Aromatic
C4	H4	sing	1.08Å	1.08Å
C5	C8	doub	1.38Å	1.40Å	Aromatic
C5	H5	sing	1.08Å	1.08Å
C6	C8	sing	1.38Å	1.46Å	Aromatic
C6	C3	doub	1.38Å	1.40Å	Aromatic
C6	CL2	sing	1.74Å	1.74Å
C8	CL1	sing	1.74Å	1.76Å
N1	C9	sing	1.35Å	1.34Å
N1	C7	sing	1.32Å	1.34Å
C9	S1	sing	1.79Å	1.76Å
C9	S2	doub	1.71Å	1.68Å
C14	C7	sing	1.52Å	1.52Å
C14	S1	sing	1.84Å	1.82Å
C14	H14	sing	1.09Å	1.10Å
C7	O1	doub	1.21Å	1.24Å
C3	H3	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O20	S19	O21	120.0°	125.4°
O20	S19	N22	106.2°	105.7°
O20	S19	C24	109.1°	105.7°
O21	S19	N22	105.0°	105.8°
O21	S19	C24	109.1°	105.8°
N22	S19	C24	106.6°	107.4°
S19	N22	N1	113.8°	120.0°
S19	N22	H22	108.0°	120.0°
S19	C24	S3	127.7°	129.0°
S19	C24	C30	119.8°	129.1°
N1	N22	H22	108.0°	120.0°
N22	N1	C9	118.8°	118.3°
N22	N1	C7	126.1°	118.3°
S3	C24	C30	112.6°	101.9°
C24	S3	C27	93.2°	98.1°
C24	C30	C29	110.8°	119.0°
C24	C30	H30	124.6°	120.5°
S3	C27	C29	112.1°	102.0°
S3	C27	H27	123.9°	129.0°
C29	C27	H27	123.9°	129.0°
C27	C29	C30	111.3°	119.0°
C27	C29	H29	124.4°	120.6°
C30	C29	H29	124.4°	120.4°
C29	C30	H30	124.6°	120.5°
C2	C1	C14	118.4°	109.4°
C2	C1	H11	104.6°	109.5°
C2	C1	H12	106.6°	109.5°
C1	C2	C4	118.1°	120.0°
C1	C2	C3	121.2°	120.0°
C14	C1	H11	104.6°	109.5°
C14	C1	H12	106.6°	109.4°
C1	C14	C7	112.7°	111.3°
C1	C14	S1	110.6°	111.3°
C1	C14	H14	104.1°	111.1°
H11	C1	H12	116.7°	109.5°
C4	C2	C3	120.7°	120.1°
C2	C4	C5	121.1°	120.0°
C2	C4	H4	119.5°	120.0°
C2	C3	C6	119.2°	120.0°
C2	C3	H3	120.4°	120.0°
C5	C4	H4	119.4°	120.0°
C4	C5	C8	119.9°	120.0°
C4	C5	H5	120.1°	120.0°
C8	C5	H5	120.0°	120.0°
C5	C8	C6	118.7°	120.0°
C5	C8	CL1	120.4°	120.0°
C8	C6	C3	120.4°	119.9°
C8	C6	CL2	120.2°	120.0°
C6	C8	CL1	120.9°	120.0°
C3	C6	CL2	119.4°	120.0°
C6	C3	H3	120.4°	120.0°
C9	N1	C7	115.1°	123.4°
N1	C9	S1	110.1°	103.9°
N1	C9	S2	126.7°	128.1°
N1	C7	C14	116.2°	115.3°
N1	C7	O1	121.5°	122.3°
S1	C9	S2	123.1°	128.0°
C9	S1	C14	92.3°	97.5°
C7	C14	S1	100.6°	99.9°
C7	C14	H14	113.6°	111.4°
C14	C7	O1	122.3°	122.3°
S1	C14	H14	115.6°	111.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O20	S19	O21	N22	119.3°	123.1°
O20	S19	O21	C24	126.8°	123.1°
O20	S19	N22	C24	116.3°	112.5°
O20	S19	N22	N1	123.1°	172.6°
O20	S19	N22	H22	3.1°	7.4°
O20	S19	C24	S3	153.1°	157.4°
O20	S19	C24	C30	27.1°	22.8°
O21	S19	N22	C24	115.6°	112.6°
O21	S19	N22	N1	5.0°	52.6°
O21	S19	N22	H22	125.0°	127.4°
O21	S19	C24	S3	20.3°	22.6°
O21	S19	C24	C30	159.9°	157.7°
S19	N22	N1	H22	120.0°	180.0°
N22	S19	C24	S3	92.6°	90.0°
N22	S19	C24	C30	87.2°	89.7°
S19	N22	N1	C9	97.4°	90.0°
S19	N22	N1	C7	80.8°	90.0°
C24	S19	N22	N1	120.7°	60.0°
C24	S19	N22	H22	119.4°	119.9°
S19	C24	S3	C30	179.8°	179.8°
S19	C24	S3	C27	179.8°	180.0°
S19	C24	C30	C29	179.8°	179.8°
S19	C24	C30	H30	0.2°	0.3°
N22	N1	C9	C7	178.4°	180.0°
N22	N1	C9	S1	162.5°	180.0°
N22	N1	C9	S2	20.2°	0.0°
N22	N1	C7	C14	179.4°	180.0°
N22	N1	C7	O1	4.3°	0.0°
H22	N22	N1	C9	22.6°	90.1°
H22	N22	N1	C7	159.2°	89.9°
C24	S3	C27	C29	0.0°	0.0°
C24	S3	C27	H27	179.9°	180.0°
S3	C24	C30	C29	0.0°	0.4°
S3	C24	C30	H30	180.0°	180.0°
C30	C24	S3	C27	0.0°	0.2°
C24	C30	C29	C27	0.1°	0.5°
C24	C30	C29	H30	180.0°	179.5°
C24	C30	C29	H29	180.0°	179.8°
S3	C27	C29	H27	180.0°	179.9°
S3	C27	C29	C30	0.1°	0.3°
S3	C27	C29	H29	179.9°	180.0°
C27	C29	C30	H29	180.0°	179.7°
C27	C29	C30	H30	179.9°	180.0°
H27	C27	C29	C30	179.9°	179.8°
H27	C27	C29	H29	0.1°	0.0°
H29	C29	C30	H30	0.0°	0.2°
C2	C1	C14	H11	115.8°	120.0°
C2	C1	C14	H12	120.0°	120.0°
C2	C1	H11	H12	117.5°	120.1°
C1	C2	C4	C3	179.9°	179.9°
C1	C2	C4	C5	179.7°	180.0°
C1	C2	C4	H4	0.3°	0.0°
C1	C2	C3	C6	179.6°	179.7°
C2	C1	C14	C7	48.0°	179.0°
C2	C1	C14	S1	63.7°	70.4°
C2	C1	C14	H14	171.5°	54.3°
C1	C2	C3	H3	0.5°	0.1°
C14	C1	H11	H12	117.4°	120.0°
C14	C1	C2	C4	90.0°	90.0°
C14	C1	C2	C3	90.1°	90.0°
C1	C14	C7	N1	133.9°	117.6°
C1	C14	S1	C9	139.4°	117.6°
C1	C14	C7	S1	117.8°	117.6°
C1	C14	C7	H14	118.1°	124.6°
C1	C14	S1	H14	117.9°	124.6°
C1	C14	C7	O1	49.8°	62.4°
H11	C1	C2	C4	25.8°	150.0°
H11	C1	C2	C3	154.1°	29.9°
H11	C1	C14	C7	163.8°	61.0°
H11	C1	C14	S1	52.1°	49.5°
H11	C1	C14	H14	72.7°	174.3°
H12	C1	C2	C4	150.0°	29.9°
H12	C1	C2	C3	29.9°	150.0°
H12	C1	C14	C7	72.0°	59.1°
H12	C1	C14	S1	176.3°	169.6°
H12	C1	C14	H14	51.5°	65.6°
C2	C4	C5	H4	180.0°	180.0°
C2	C4	C5	C8	0.0°	0.0°
C2	C4	C5	H5	180.0°	180.0°
C4	C2	C3	C6	0.3°	0.3°
C4	C2	C3	H3	179.7°	180.0°
C3	C2	C4	C5	0.2°	0.0°
C3	C2	C4	H4	179.8°	180.0°
C2	C3	C6	C8	0.2°	0.6°
C2	C3	C6	H3	180.0°	179.6°
C2	C3	C6	CL2	179.6°	180.0°
C4	C5	C8	H5	180.0°	180.0°
C4	C5	C8	C6	0.2°	0.3°
C4	C5	C8	CL1	179.7°	180.0°
H4	C4	C5	C8	180.0°	180.0°
H4	C4	C5	H5	0.0°	0.0°
C5	C8	C6	CL1	179.8°	179.7°
C5	C8	C6	C3	0.1°	0.6°
C5	C8	C6	CL2	179.9°	180.0°
H5	C5	C8	C6	179.8°	179.7°
H5	C5	C8	CL1	0.3°	0.1°
C8	C6	C3	CL2	179.8°	179.4°
C8	C6	C3	H3	179.8°	179.7°
C3	C6	C8	CL1	179.8°	179.7°
CL2	C6	C8	CL1	0.0°	0.2°
CL2	C6	C3	H3	0.4°	0.3°
N1	C9	S1	S2	177.4°	180.0°
C9	N1	C7	C14	1.1°	0.0°
N1	C9	S1	C14	22.0°	0.0°
C9	N1	C7	O1	177.4°	180.0°
C7	N1	C9	S1	15.9°	0.0°
C7	N1	C9	S2	161.4°	180.0°
N1	C7	C14	O1	176.3°	180.0°
N1	C7	C14	S1	16.1°	0.0°
N1	C7	C14	H14	108.0°	117.8°
C9	S1	C14	C7	20.1°	0.0°
C9	S1	C14	H14	102.7°	117.7°
S2	C9	S1	C14	155.4°	180.0°
C7	C14	S1	H14	122.8°	117.7°
S1	C14	C7	O1	167.5°	180.0°
H14	C14	C7	O1	68.3°	62.2°

Definition date:	2005-09-22
Last modified:	2024-09-27
Release status:	REL
Processing site:	RCSB
Derived from:	2AX1