Chlorine in PDB 8gjv: Chemical Synthesis of Maxamycins: Intermediate Compound 10

The structure of Chemical Synthesis of Maxamycins: Intermediate Compound 10, PDB code: 8gjv was solved by R.L.Stanfield, M.J.Moore, D.L.Boger, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.75 / 0.90
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	23.582, 19.693, 51.816, 90, 96.61, 90
R / Rfree (%)	11.8 / 13.2

The structure of Chemical Synthesis of Maxamycins: Intermediate Compound 10 also contains other interesting chemical elements:

Silicon

(Si)

9 atoms

The binding sites of Chlorine atom in the Chemical Synthesis of Maxamycins: Intermediate Compound 10 (pdb code 8gjv). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 8 binding sites of Chlorine where determined in the Chemical Synthesis of Maxamycins: Intermediate Compound 10, PDB code: 8gjv:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Chlorine binding site 1 out of 8 in the Chemical Synthesis of Maxamycins: Intermediate Compound 10


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Chemical Synthesis of Maxamycins: Intermediate Compound 10 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl2 b:6.9 occ:1.00 CL A:ZTG2 0.0 6.9 1.0 CE1 A:ZTG2 1.7 5.0 1.0 CZ A:ZTG2 2.7 5.0 1.0 CD1 A:ZTG2 2.7 5.4 1.0 H31 B:ZT66 2.8 11.2 0.3 H93 B:ZT66 2.8 13.2 0.7 HD1 A:ZTG2 2.9 5.3 1.0 H91 B:ZT66 2.9 13.3 0.7 OH A:ZTG2 2.9 5.6 1.0 HD2 B:ZT66 3.1 5.1 1.0 HE2 B:ZT66 3.2 5.2 1.0 H93 B:ZT66 3.2 7.7 0.3 H61 A:ZT94 3.2 4.3 1.0 C5 A:ZT94 3.3 4.5 1.0 C9 B:ZT66 3.3 13.9 0.7 H71 B:ZT66 3.4 7.8 0.3 C6 A:ZT94 3.5 4.2 1.0 CD2 B:ZT66 3.5 5.1 1.0 H73 A:ZT94 3.5 6.5 0.2 H32 B:ZT66 3.5 11.3 0.3 C3 B:ZT66 3.5 13.4 0.3 H71 B:ZT66 3.6 10.7 0.7 CE2 B:ZT66 3.6 5.2 1.0 H33 B:ZT66 3.8 10.5 0.3 CG A:ZTG2 4.0 5.1 1.0 CE2 A:ZTG2 4.0 5.0 1.0 C7 B:ZT66 4.0 10.9 0.7 C9 B:ZT66 4.2 7.5 0.3 H92 B:ZT66 4.2 13.2 0.7 C7 B:ZT66 4.2 8.0 0.3 C4 A:ZT94 4.3 5.6 1.0 C1 A:ZT94 4.5 4.0 1.0 C7 A:ZT94 4.5 6.5 0.2 CD2 A:ZTG2 4.5 5.2 1.0 CG B:ZT66 4.6 5.1 1.0 O A:ZTK3 4.6 5.0 1.0 ODE B:ZT66 4.7 5.1 1.0 CZ B:ZT66 4.7 5.7 1.0 H91 B:ZT66 4.8 7.7 0.3 H92 B:ZT66 4.8 7.3 0.3 O4 A:ZT94 4.8 6.7 1.0 HE2 A:ZTG2 4.8 5.0 1.0 H83 A:ZTG2 4.8 7.5 0.2 C A:ZTK3 4.9 4.2 1.0 C1 B:ZT66 4.9 7.9 0.3 H72 A:ZT94 4.9 6.5 0.2 H23 B:ZT66 5.0 8.7 0.3 H82 B:ZT66 5.0 11.1 0.7

Chlorine binding site 2 out of 8 in the Chemical Synthesis of Maxamycins: Intermediate Compound 10


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Chemical Synthesis of Maxamycins: Intermediate Compound 10 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl6 b:9.7 occ:1.00 CL A:ZT66 0.0 9.7 1.0 CE1 A:ZT66 1.7 6.0 1.0 CD1 A:ZT66 2.7 5.9 1.0 CZ A:ZT66 2.7 5.5 1.0 HD1 A:ZT66 2.8 5.8 1.0 OH A:ZT66 3.0 6.5 1.0 H72 A:ZT94 3.1 6.6 0.8 C3 A:ZT94 3.1 4.9 1.0 H2 A:MOH108 3.4 13.4 1.0 C2 A:ZT94 3.5 4.3 1.0 H21 A:ZT94 3.6 4.3 1.0 H2 A:MOH103 3.6 10.8 1.0 H73 A:ZT94 3.7 6.6 0.8 C4 A:ZT94 3.8 5.6 1.0 C7 A:ZT94 3.8 6.4 0.8 H1 A:MOH108 3.9 13.2 1.0 CG A:ZT66 4.0 5.5 1.0 CE2 A:ZT66 4.0 5.0 1.0 H3 A:MOH103 4.1 10.8 1.0 C A:MOH108 4.1 13.3 1.0 HA2 A:ZSX5 4.2 4.5 1.0 O4 A:ZT94 4.2 6.7 1.0 S A:ZT94 4.2 5.2 1.0 C A:MOH103 4.2 10.4 1.0 C1 A:ZT94 4.3 4.0 1.0 H1 A:MOH103 4.4 10.7 1.0 CD2 A:ZT66 4.5 5.0 1.0 C5 A:ZT94 4.5 4.5 1.0 HO A:MOH108 4.6 12.2 1.0 C A:ZT94 4.7 4.3 1.0 O A:MOH108 4.7 13.4 1.0 C6 A:ZT94 4.7 4.2 1.0 H71 A:ZT94 4.8 6.7 0.8 HO A:MOH107 4.9 10.2 1.0 HE2 A:ZT66 4.9 5.1 1.0 H3 A:MOH108 4.9 13.4 1.0 HA A:ZT66 4.9 5.4 1.0

Chlorine binding site 3 out of 8 in the Chemical Synthesis of Maxamycins: Intermediate Compound 10


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Chemical Synthesis of Maxamycins: Intermediate Compound 10 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl2 b:6.5 occ:1.00 CL B:ZTG2 0.0 6.5 1.0 CE1 B:ZTG2 1.7 5.5 1.0 CZ B:ZTG2 2.7 5.2 1.0 CD1 B:ZTG2 2.7 6.0 1.0 HD1 B:ZTG2 2.9 5.9 1.0 OH B:ZTG2 2.9 5.5 1.0 H41 A:ZT66 3.0 15.8 1.0 HD2 A:ZT66 3.1 5.3 1.0 H63 A:ZT66 3.1 13.8 1.0 H61 B:ZT94 3.2 4.5 1.0 HE2 A:ZT66 3.3 5.1 1.0 C5 B:ZT94 3.3 4.6 1.0 C6 B:ZT94 3.5 4.5 1.0 CD2 A:ZT66 3.6 5.0 1.0 CE2 A:ZT66 3.7 5.0 1.0 H73 B:ZT94 3.7 6.9 0.8 C6 A:ZT66 3.7 15.0 1.0 H62 A:ZT66 3.8 14.9 1.0 C4 A:ZT66 3.8 17.2 1.0 H71 A:ZT66 3.9 14.1 1.0 CE2 B:ZTG2 4.0 5.7 1.0 CG B:ZTG2 4.0 6.4 1.0 C4 B:ZT94 4.3 5.4 1.0 O B:ZTK3 4.5 5.9 1.0 CD2 B:ZTG2 4.5 6.4 1.0 H83 A:ZT66 4.5 18.9 1.0 C1 B:ZT94 4.6 4.4 1.0 C7 B:ZT94 4.6 7.1 0.8 CG A:ZT66 4.6 5.5 1.0 ODE A:ZT66 4.6 7.0 1.0 H61 A:ZT66 4.7 15.4 1.0 C B:ZTK3 4.7 5.1 1.0 H71 B:ZT94 4.8 7.0 0.8 C7 A:ZT66 4.8 14.8 1.0 O4 B:ZT94 4.8 6.3 1.0 HE2 B:ZTG2 4.8 5.7 1.0 SI A:ZT66 4.9 9.3 1.0 CZ A:ZT66 4.9 5.5 1.0

Chlorine binding site 4 out of 8 in the Chemical Synthesis of Maxamycins: Intermediate Compound 10


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Chemical Synthesis of Maxamycins: Intermediate Compound 10 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl6 b:8.2 occ:1.00 CL B:ZT66 0.0 8.2 1.0 CE1 B:ZT66 1.7 5.8 1.0 CD1 B:ZT66 2.7 5.2 1.0 CZ B:ZT66 2.7 5.7 1.0 HD1 B:ZT66 2.8 5.2 1.0 H73 B:ZT94 2.8 6.2 0.2 OH B:ZT66 3.1 6.4 1.0 C3 B:ZT94 3.2 5.0 1.0 H2 B:MOH105 3.4 10.7 1.0 C2 B:ZT94 3.5 4.9 1.0 H21 B:ZT94 3.6 4.8 1.0 H2 B:MOH101 3.7 10.9 1.0 C4 B:ZT94 3.8 5.4 1.0 H1 B:MOH101 3.8 10.2 1.0 C7 B:ZT94 3.8 6.5 0.2 CG B:ZT66 4.0 5.1 1.0 CE2 B:ZT66 4.0 5.2 1.0 H3 B:MOH105 4.0 10.6 1.0 C B:MOH105 4.0 10.6 1.0 H1 B:MOH105 4.1 10.8 1.0 C B:MOH101 4.2 11.3 1.0 HA2 B:ZSX5 4.2 4.2 1.0 C1 B:ZT94 4.2 4.4 1.0 O4 B:ZT94 4.3 6.3 1.0 S B:ZT94 4.3 5.2 1.0 H71 B:ZT94 4.4 6.3 0.2 H72 B:ZT94 4.5 6.4 0.2 C5 B:ZT94 4.5 4.6 1.0 CD2 B:ZT66 4.5 5.1 1.0 C6 B:ZT94 4.7 4.5 1.0 C B:ZT94 4.7 4.3 1.0 O B:MOH101 4.8 8.2 1.0 HO B:MOH103 4.8 6.8 1.0 HE2 B:ZT66 4.9 5.2 1.0 HA B:ZT66 4.9 4.5 1.0

Chlorine binding site 5 out of 8 in the Chemical Synthesis of Maxamycins: Intermediate Compound 10


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Chemical Synthesis of Maxamycins: Intermediate Compound 10 within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl2 b:6.5 occ:1.00 CL C:ZTG2 0.0 6.5 1.0 CE1 C:ZTG2 1.7 5.5 1.0 CZ C:ZTG2 2.7 5.3 1.0 CD1 C:ZTG2 2.7 5.5 1.0 HD1 C:ZTG2 2.9 5.4 1.0 H63 D:ZT66 2.9 12.5 1.0 OH C:ZTG2 3.0 5.7 1.0 H41 D:ZT66 3.0 10.1 1.0 H61 C:ZT94 3.2 4.9 1.0 C5 C:ZT94 3.2 5.1 1.0 HE2 D:ZT66 3.2 5.0 1.0 HD2 D:ZT66 3.3 4.9 1.0 C6 C:ZT94 3.3 4.8 1.0 H61 D:ZT66 3.5 12.3 1.0 C6 D:ZT66 3.6 13.3 1.0 CD2 D:ZT66 3.7 4.9 1.0 CE2 D:ZT66 3.7 5.0 1.0 C4 D:ZT66 3.8 11.7 1.0 CE2 C:ZTG2 4.0 5.6 1.0 H72 C:ZT94 4.0 6.1 0.3 CG C:ZTG2 4.0 5.5 1.0 H52 D:ZT66 4.1 14.9 1.0 C4 C:ZT94 4.2 5.3 1.0 C1 C:ZT94 4.3 4.8 1.0 C5 D:ZT66 4.5 15.6 1.0 H73 C:ZT94 4.5 6.1 0.3 CD2 C:ZTG2 4.5 5.6 1.0 C7 C:ZT94 4.6 6.2 0.3 H62 D:ZT66 4.6 13.0 1.0 O C:ZTK3 4.6 5.3 1.0 O4 C:ZT94 4.7 6.5 1.0 C C:ZTK3 4.8 4.6 1.0 H51 D:ZT66 4.8 14.4 1.0 HE2 C:ZTG2 4.8 5.5 1.0 CZ D:ZT66 4.9 5.4 1.0 CG D:ZT66 4.9 4.7 1.0

Chlorine binding site 6 out of 8 in the Chemical Synthesis of Maxamycins: Intermediate Compound 10


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Chemical Synthesis of Maxamycins: Intermediate Compound 10 within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl6 b:8.2 occ:1.00 CL C:ZT66 0.0 8.2 1.0 CE1 C:ZT66 1.7 6.0 1.0 CD1 C:ZT66 2.7 5.8 1.0 CZ C:ZT66 2.7 5.9 1.0 HD1 C:ZT66 2.8 5.6 1.0 H73 C:ZT94 3.0 6.5 0.7 OH C:ZT66 3.0 6.6 1.0 H3 C:MOH104 3.1 8.4 1.0 C3 C:ZT94 3.1 5.5 1.0 C2 C:ZT94 3.5 5.1 1.0 C4 C:ZT94 3.6 5.3 1.0 H3 C:MOH103 3.7 8.4 1.0 H21 C:ZT94 3.7 5.2 1.0 C7 C:ZT94 3.7 6.5 0.7 H72 C:ZT94 3.7 6.6 0.7 H1 C:MOH103 3.9 8.5 1.0 CG C:ZT66 4.0 5.8 1.0 CE2 C:ZT66 4.0 6.2 1.0 C C:MOH104 4.0 8.4 1.0 O4 C:ZT94 4.1 6.5 1.0 HA2 C:ZSX5 4.1 4.7 1.0 C C:MOH103 4.2 8.6 1.0 C1 C:ZT94 4.2 4.8 1.0 S C:ZT94 4.3 5.9 1.0 H2 C:MOH103 4.3 8.6 1.0 C5 C:ZT94 4.4 5.1 1.0 H2 C:MOH104 4.4 8.3 1.0 H1 C:MOH104 4.5 8.3 1.0 CD2 C:ZT66 4.5 6.2 1.0 C6 C:ZT94 4.6 4.8 1.0 H71 C:ZT94 4.6 6.6 0.7 C C:ZT94 4.7 4.8 1.0 O C:MOH104 4.7 8.4 1.0 H92 C:ZT66 4.8 7.4 0.4 HA C:ZT66 4.9 5.4 1.0 HE2 C:ZT66 4.9 6.0 1.0

Chlorine binding site 7 out of 8 in the Chemical Synthesis of Maxamycins: Intermediate Compound 10


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Chemical Synthesis of Maxamycins: Intermediate Compound 10 within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl2 b:6.9 occ:1.00 CL D:ZTG2 0.0 6.9 1.0 CE1 D:ZTG2 1.7 5.4 1.0 CZ D:ZTG2 2.7 5.0 1.0 CD1 D:ZTG2 2.7 5.8 1.0 H91 C:ZT66 2.7 7.3 0.4 H81 C:ZT66 2.8 16.8 0.6 H83 C:ZT66 2.8 15.9 0.6 HD1 D:ZTG2 2.9 5.7 1.0 H11 C:ZT66 2.9 7.5 0.4 OH D:ZTG2 2.9 5.1 1.0 HD2 C:ZT66 3.1 6.0 1.0 H61 D:ZT94 3.2 4.6 1.0 C8 C:ZT66 3.3 17.8 0.6 H92 C:ZT66 3.3 15.2 0.6 HE2 C:ZT66 3.3 6.0 1.0 C5 D:ZT94 3.4 4.6 1.0 H73 D:ZT94 3.5 7.0 0.7 C6 D:ZT94 3.5 4.5 1.0 CD2 C:ZT66 3.5 6.2 1.0 H92 C:ZT66 3.6 7.4 0.4 C9 C:ZT66 3.6 7.4 0.4 CE2 C:ZT66 3.7 6.2 1.0 H91 C:ZT66 3.8 14.6 0.6 H32 C:ZT66 3.9 7.2 0.4 C1 C:ZT66 3.9 7.6 0.4 C9 C:ZT66 3.9 16.0 0.6 CE2 D:ZTG2 4.0 5.3 1.0 CG D:ZTG2 4.0 5.8 1.0 H82 C:ZT66 4.1 16.6 0.6 H93 C:ZT66 4.2 7.5 0.4 C7 C:ZT66 4.2 12.3 0.6 C4 D:ZT94 4.4 5.2 1.0 C7 D:ZT94 4.4 7.0 0.7 CD2 D:ZTG2 4.5 5.6 1.0 C3 C:ZT66 4.5 7.4 0.4 C1 D:ZT94 4.6 4.4 1.0 H23 C:ZT66 4.6 8.7 0.4 H72 D:ZT94 4.6 6.7 0.7 CG C:ZT66 4.6 5.8 1.0 O D:ZTK3 4.6 6.3 1.0 ODE C:ZT66 4.7 7.0 1.0 C7 C:ZT66 4.7 7.7 0.4 SI C:ZT66 4.7 7.0 0.4 H32 D:ZTG2 4.7 8.0 1.0 H61 C:ZT66 4.8 11.4 0.6 HE2 D:ZTG2 4.8 5.2 1.0 CZ C:ZT66 4.9 5.9 1.0 O4 D:ZT94 4.9 6.3 1.0 C D:ZTK3 4.9 5.3 1.0 C2 C:ZT66 4.9 9.1 0.4 H93 C:ZT66 5.0 14.3 0.6

Chlorine binding site 8 out of 8 in the Chemical Synthesis of Maxamycins: Intermediate Compound 10


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Chemical Synthesis of Maxamycins: Intermediate Compound 10 within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl6 b:8.8 occ:1.00 CL D:ZT66 0.0 8.8 1.0 CE1 D:ZT66 1.7 5.7 1.0 CD1 D:ZT66 2.7 5.0 1.0 CZ D:ZT66 2.7 5.4 1.0 HD1 D:ZT66 2.8 5.0 1.0 OH D:ZT66 3.0 6.5 1.0 C3 D:ZT94 3.2 5.2 1.0 H73 D:ZT94 3.4 5.5 0.3 H1 D:MOH105 3.4 9.0 1.0 C2 D:ZT94 3.5 5.2 1.0 H72 D:ZT94 3.6 5.5 0.3 H21 D:ZT94 3.6 5.0 1.0 H3 D:MOH105 3.6 8.7 1.0 H2 D:MOH103 3.7 12.8 1.0 C4 D:ZT94 3.8 5.2 1.0 C7 D:ZT94 3.9 5.4 0.3 C D:MOH105 3.9 8.7 1.0 CG D:ZT66 4.0 4.7 1.0 CE2 D:ZT66 4.0 5.0 1.0 H2 D:MOH105 4.0 8.8 1.0 HA2 D:ZSX5 4.3 4.5 1.0 C1 D:ZT94 4.3 4.4 1.0 O4 D:ZT94 4.3 6.3 1.0 H1 D:MOH103 4.3 12.0 1.0 C D:MOH103 4.4 12.9 1.0 S D:ZT94 4.4 5.6 1.0 C5 D:ZT94 4.5 4.6 1.0 CD2 D:ZT66 4.5 4.9 1.0 C6 D:ZT94 4.7 4.5 1.0 C D:ZT94 4.8 4.5 1.0 HE2 D:ZT66 4.9 5.0 1.0 H71 D:ZT94 4.9 5.7 0.3 HA D:ZT66 4.9 4.7 1.0 HO D:MOH106 4.9 7.7 1.0 O D:MOH103 4.9 10.1 1.0

M.J.Moore, P.Qin, D.J.Keith, Z.C.Wu, S.Jung, S.Chatterjee, C.Tan, S.Qu, Y.Cai, R.L.Stanfield, D.L.Boger. Divergent Total Synthesis and Characterization of Maxamycins. J.Am.Chem.Soc. V. 145 12837 2023.
ISSN: ESSN 1520-5126
PubMed: 37278486
DOI: 10.1021/JACS.3C03710