Chlorine in PDB 3hjv: 1.7 Angstrom Resolution Crystal Structure of An Acyl Carrier Protein S-Malonyltransferase From Vibrio Cholerae O1 Biovar Eltor Str. N16961

The structure of 1.7 Angstrom Resolution Crystal Structure of An Acyl Carrier Protein S-Malonyltransferase From Vibrio Cholerae O1 Biovar Eltor Str. N16961, PDB code: 3hjv was solved by A.S.Halavaty, Z.Wawrzak, S.Anderson, T.Skarina, O.Onopriyenko, K.Kwon, A.Savchenko, W.F.Anderson, Center For Structural Genomics Ofinfectious Diseases (Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.48 / 1.70
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	46.525, 87.789, 121.957, 90.00, 90.00, 90.00
R / Rfree (%)	14.5 / 19.3

The binding sites of Chlorine atom in the 1.7 Angstrom Resolution Crystal Structure of An Acyl Carrier Protein S-Malonyltransferase From Vibrio Cholerae O1 Biovar Eltor Str. N16961 (pdb code 3hjv). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 9 binding sites of Chlorine where determined in the 1.7 Angstrom Resolution Crystal Structure of An Acyl Carrier Protein S-Malonyltransferase From Vibrio Cholerae O1 Biovar Eltor Str. N16961, PDB code: 3hjv:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9;

Chlorine binding site 1 out of 9 in the 1.7 Angstrom Resolution Crystal Structure of An Acyl Carrier Protein S-Malonyltransferase From Vibrio Cholerae O1 Biovar Eltor Str. N16961


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of 1.7 Angstrom Resolution Crystal Structure of An Acyl Carrier Protein S-Malonyltransferase From Vibrio Cholerae O1 Biovar Eltor Str. N16961 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl328 b:34.9 occ:1.00 O B:HOH457 2.7 39.3 1.0 O B:HOH482 2.9 37.5 1.0 O A:HOH611 3.0 49.0 1.0 NE2 A:GLN16 3.2 13.0 0.6 NE2 A:GLN19 3.2 15.6 1.0 CA A:GLY17 3.8 14.6 1.0 N A:GLY17 3.9 14.7 1.0 O A:HOH684 3.9 50.5 1.0 CG A:GLN16 3.9 13.0 0.6 CD A:GLN16 4.0 11.6 0.6 CD A:GLN19 4.1 15.7 1.0 OE1 A:GLN19 4.2 14.9 1.0 O B:HOH614 4.3 32.2 0.5 C A:GLN16 4.6 14.4 0.6 O B:HOH614 4.6 21.4 0.5 C A:GLN16 4.7 14.9 0.4 O B:HOH417 4.8 29.2 1.0 O A:ASN62 4.8 15.8 1.0 OD1 A:ASN62 4.8 14.6 1.0 O A:HOH475 4.9 21.4 1.0 C A:GLY17 4.9 14.9 1.0 CG A:ASN62 4.9 13.4 1.0 CB A:GLN16 5.0 15.5 0.4

Chlorine binding site 2 out of 9 in the 1.7 Angstrom Resolution Crystal Structure of An Acyl Carrier Protein S-Malonyltransferase From Vibrio Cholerae O1 Biovar Eltor Str. N16961


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of 1.7 Angstrom Resolution Crystal Structure of An Acyl Carrier Protein S-Malonyltransferase From Vibrio Cholerae O1 Biovar Eltor Str. N16961 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl329 b:47.4 occ:1.00 O A:HOH501 2.5 36.9 1.0 NZ A:LYS35 3.0 21.7 1.0 NE1 A:TRP50 3.1 13.3 1.0 O A:HOH567 3.7 31.8 1.0 CE A:LYS35 3.7 19.9 1.0 CD1 A:TRP50 4.0 13.2 1.0 CE2 A:TRP50 4.1 12.2 1.0 CD A:LYS35 4.1 15.5 1.0 CZ2 A:TRP50 4.4 13.6 1.0 O A:HOH748 4.8 51.5 1.0 OE1 A:GLU29 5.0 23.2 0.5 O A:HOH703 5.0 42.8 1.0

Chlorine binding site 3 out of 9 in the 1.7 Angstrom Resolution Crystal Structure of An Acyl Carrier Protein S-Malonyltransferase From Vibrio Cholerae O1 Biovar Eltor Str. N16961


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of 1.7 Angstrom Resolution Crystal Structure of An Acyl Carrier Protein S-Malonyltransferase From Vibrio Cholerae O1 Biovar Eltor Str. N16961 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl330 b:60.0 occ:1.00 O3 A:CXS324 2.9 36.6 0.8 O A:HOH376 3.2 24.4 1.0 C1 A:CXS324 3.6 37.3 0.9 C2 A:CXS324 3.7 38.6 0.9 S A:CXS324 3.8 35.2 0.8 O B:HOH457 4.0 39.3 1.0 CG A:GLN16 4.1 13.0 0.6 O A:HOH429 4.2 42.2 1.0 SE A:MSE137 4.4 19.2 0.6 SE A:MSE137 4.4 24.3 0.4 CB A:GLN16 4.5 14.0 0.6 CG1 A:VAL201 4.5 26.1 1.0 O1 A:CXS324 4.5 38.0 0.8 C3 A:CXS324 4.5 40.3 0.9 NE2 A:GLN16 4.5 20.6 0.4 O A:HOH385 4.7 36.9 1.0 OG A:SER205 4.7 15.0 0.5 CB A:GLN16 4.7 15.5 0.4 OG A:SER205 4.8 17.6 0.5 CE A:MSE137 4.8 14.6 0.6 O A:HOH634 5.0 28.6 0.7 CD A:GLN16 5.0 19.4 0.4

Chlorine binding site 4 out of 9 in the 1.7 Angstrom Resolution Crystal Structure of An Acyl Carrier Protein S-Malonyltransferase From Vibrio Cholerae O1 Biovar Eltor Str. N16961


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of 1.7 Angstrom Resolution Crystal Structure of An Acyl Carrier Protein S-Malonyltransferase From Vibrio Cholerae O1 Biovar Eltor Str. N16961 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl331 b:39.9 occ:1.00 O A:HOH363 2.7 13.8 1.0 O A:HOH385 2.8 36.9 1.0 OG A:SER97 3.0 15.8 1.0 OE1 A:GLN16 3.0 21.1 0.4 NH1 A:ARG122 3.1 14.1 1.0 CD A:GLN16 3.7 19.4 0.4 CG A:GLN16 3.9 17.2 0.4 NH2 A:ARG122 3.9 16.5 1.0 CZ A:ARG122 3.9 14.3 1.0 CB A:SER97 3.9 13.4 1.0 N A:LEU98 3.9 12.0 1.0 NE2 A:GLN68 4.1 18.0 1.0 CB A:LEU98 4.2 11.9 1.0 CE A:MSE126 4.2 20.2 1.0 CD A:GLN68 4.3 16.1 1.0 O3 A:CXS324 4.4 36.6 0.8 SE A:MSE126 4.4 22.1 1.0 CB A:GLN16 4.5 14.0 0.6 CA A:LEU98 4.5 11.6 1.0 O A:HOH394 4.6 19.2 1.0 OE1 A:GLN68 4.7 14.9 1.0 CB A:GLN16 4.7 15.5 0.4 C A:SER97 4.7 12.8 1.0 NE2 A:HIS206 4.8 13.8 1.0 CG A:GLN68 4.8 13.4 1.0 NE2 A:GLN16 4.9 20.6 0.4 CA A:SER97 4.9 13.3 1.0

Chlorine binding site 5 out of 9 in the 1.7 Angstrom Resolution Crystal Structure of An Acyl Carrier Protein S-Malonyltransferase From Vibrio Cholerae O1 Biovar Eltor Str. N16961


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of 1.7 Angstrom Resolution Crystal Structure of An Acyl Carrier Protein S-Malonyltransferase From Vibrio Cholerae O1 Biovar Eltor Str. N16961 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl332 b:52.6 occ:1.00 O B:HOH752 2.7 61.8 1.0 O A:HOH534 2.9 41.0 1.0 O A:HOH415 3.2 21.9 1.0 CD B:ARG195 3.6 18.2 1.0 NH2 A:ARG66 3.6 21.3 1.0 CZ A:PHE65 3.7 23.6 1.0 CD2 B:LEU197 3.7 20.0 1.0 O3 B:SO4319 4.1 35.9 0.5 CE2 A:PHE65 4.2 22.6 1.0 O A:HOH541 4.2 59.0 1.0 CG B:ARG195 4.3 17.5 1.0 O1 B:SO4319 4.5 35.5 0.5 CZ A:ARG66 4.6 24.2 1.0 CB B:ARG195 4.7 16.2 1.0 NE B:ARG195 4.7 20.2 1.0 CE1 A:PHE65 4.8 25.7 1.0 NE A:ARG66 4.8 21.4 1.0 S B:SO4319 5.0 34.3 0.5 OD1 A:ASP60 5.0 23.2 1.0

Chlorine binding site 6 out of 9 in the 1.7 Angstrom Resolution Crystal Structure of An Acyl Carrier Protein S-Malonyltransferase From Vibrio Cholerae O1 Biovar Eltor Str. N16961


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of 1.7 Angstrom Resolution Crystal Structure of An Acyl Carrier Protein S-Malonyltransferase From Vibrio Cholerae O1 Biovar Eltor Str. N16961 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl322 b:30.1 occ:1.00 O B:HOH464 3.0 34.2 1.0 NE2 B:GLN19 3.1 12.9 1.0 NE2 B:GLN16 3.1 17.1 1.0 O B:HOH643 3.2 45.0 1.0 O B:HOH475 3.2 33.6 1.0 CA B:GLY17 3.7 13.8 1.0 N B:GLY17 3.8 13.9 1.0 CG B:GLN16 3.9 16.5 1.0 CD B:GLN16 4.0 18.5 1.0 CD B:GLN19 4.1 11.8 1.0 OE1 B:GLN19 4.2 13.7 1.0 O B:HOH532 4.3 19.4 0.5 O B:ASN62 4.6 16.2 1.0 C B:GLN16 4.6 13.7 1.0 OD1 B:ASN62 4.8 14.0 1.0 CB B:ASN62 4.8 13.3 1.0 CG B:ASN62 4.8 13.9 1.0 C B:GLY17 4.9 14.2 1.0

Chlorine binding site 7 out of 9 in the 1.7 Angstrom Resolution Crystal Structure of An Acyl Carrier Protein S-Malonyltransferase From Vibrio Cholerae O1 Biovar Eltor Str. N16961


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of 1.7 Angstrom Resolution Crystal Structure of An Acyl Carrier Protein S-Malonyltransferase From Vibrio Cholerae O1 Biovar Eltor Str. N16961 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl323 b:41.2 occ:1.00 O B:HOH503 2.7 25.7 1.0 O B:HOH338 3.2 34.4 1.0 ND2 B:ASN62 3.2 13.9 1.0 O B:HOH614 3.4 21.4 0.5 CB B:ASN62 3.9 13.3 1.0 CA B:GLU59 4.0 13.9 1.0 CD2 A:LEU199 4.0 21.5 1.0 CG B:GLU59 4.0 15.0 1.0 CG B:ASN62 4.1 13.9 1.0 O B:HOH431 4.1 40.1 1.0 CB B:GLU59 4.2 13.9 1.0 CD A:PRO200 4.3 22.5 1.0 O B:HOH643 4.5 45.0 1.0 O B:GLU59 4.6 15.0 1.0 O B:HOH614 4.7 32.2 0.5 CG A:LEU199 4.7 21.0 1.0 CG1 B:VAL58 4.7 15.2 0.5 CD1 A:LEU199 4.7 21.2 1.0 CB A:LEU199 4.7 20.0 1.0 O B:HOH532 4.7 14.5 0.5 N B:GLU59 4.8 13.2 1.0 O B:VAL58 4.8 12.6 0.5 CG A:PRO200 4.8 22.5 1.0 C B:GLU59 4.8 13.9 1.0 O B:VAL58 4.9 13.4 0.5 O B:HOH417 5.0 29.2 1.0

Chlorine binding site 8 out of 9 in the 1.7 Angstrom Resolution Crystal Structure of An Acyl Carrier Protein S-Malonyltransferase From Vibrio Cholerae O1 Biovar Eltor Str. N16961


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of 1.7 Angstrom Resolution Crystal Structure of An Acyl Carrier Protein S-Malonyltransferase From Vibrio Cholerae O1 Biovar Eltor Str. N16961 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl324 b:38.8 occ:1.00 O B:HOH328 2.7 13.1 1.0 O B:HOH352 2.9 38.4 1.0 O B:HOH523 3.0 44.3 1.0 NH1 B:ARG122 3.0 14.7 1.0 OG B:SER97 3.2 9.5 0.6 N B:LEU98 3.9 12.1 1.0 CB B:SER97 3.9 13.4 0.4 NH2 B:ARG122 3.9 16.9 1.0 CZ B:ARG122 3.9 15.4 1.0 NE2 B:GLN68 4.0 17.7 1.0 CB B:SER97 4.1 11.8 0.6 CB B:LEU98 4.1 13.0 1.0 CE B:MSE126 4.2 23.2 1.0 CD B:GLN68 4.2 14.7 1.0 SE B:MSE126 4.3 22.7 1.0 CA B:LEU98 4.5 11.6 1.0 CB B:GLN16 4.5 14.4 1.0 OE1 B:GLN68 4.5 16.0 1.0 O2 B:CXS321 4.7 53.0 0.5 CG B:GLN68 4.7 11.8 1.0 C B:SER97 4.8 12.5 0.4 C B:SER97 4.8 11.9 0.6 O3 B:CXS321 4.8 47.5 0.5 OG B:SER97 4.8 15.0 0.4 O B:HOH483 4.8 4.5 0.3 OG1 B:THR64 4.9 22.5 1.0 CA B:SER97 4.9 12.6 0.4 N B:GLN16 5.0 14.3 1.0 O2 B:CXS321 5.0 47.3 0.5

Chlorine binding site 9 out of 9 in the 1.7 Angstrom Resolution Crystal Structure of An Acyl Carrier Protein S-Malonyltransferase From Vibrio Cholerae O1 Biovar Eltor Str. N16961


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of 1.7 Angstrom Resolution Crystal Structure of An Acyl Carrier Protein S-Malonyltransferase From Vibrio Cholerae O1 Biovar Eltor Str. N16961 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl325 b:41.1 occ:1.00 O B:HOH354 2.7 46.3 1.0 O B:HOH675 2.7 37.9 1.0 NZ B:LYS284 3.1 22.4 0.5 N B:ALA301 3.3 15.6 1.0 CE B:LYS284 3.6 21.4 0.5 CD B:LYS284 3.6 20.5 0.5 O B:HOH468 3.6 32.7 1.0 CA B:VAL300 3.7 16.7 1.0 CG2 B:VAL300 3.7 19.2 1.0 CD B:LYS284 3.9 20.6 0.5 CE B:LYS284 3.9 20.9 0.5 C B:VAL300 4.0 15.9 1.0 CB B:ALA301 4.2 15.1 1.0 CA B:ALA301 4.2 14.9 1.0 CB B:VAL300 4.3 16.8 1.0 O B:HOH517 4.3 36.3 1.0 CG2 B:THR287 4.3 15.6 1.0 O B:ALA301 4.4 16.1 1.0 O B:GLY299 4.5 16.5 1.0 CG B:LYS284 4.6 18.8 0.5 CG B:LYS284 4.7 18.8 0.5 N B:VAL300 4.8 16.0 1.0 C B:ALA301 4.8 15.4 1.0

A.S.Halavaty, Z.Wawrzak, S.Anderson, T.Skarina, O.Onopriyenko, K.Kwon, A.Savchenko, W.F.Anderson, Center For Structural Genomics Of Infectious Diseases(Csgid). 1.7 Angstrom Resolution Crystal Structure of An Acyl Carrier Protein S-Malonyltransferase From Vibrio Cholerae O1 Biovar Eltor Str. N16961 To Be Published.