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Chlorine in PDB 3qmn: Crystal Structure of 4'-Phosphopantetheinyl Transferase Acps From Vibrio Cholerae O1 Biovar Eltor

Enzymatic activity of Crystal Structure of 4'-Phosphopantetheinyl Transferase Acps From Vibrio Cholerae O1 Biovar Eltor

All present enzymatic activity of Crystal Structure of 4'-Phosphopantetheinyl Transferase Acps From Vibrio Cholerae O1 Biovar Eltor:
2.7.8.7;

Protein crystallography data

The structure of Crystal Structure of 4'-Phosphopantetheinyl Transferase Acps From Vibrio Cholerae O1 Biovar Eltor, PDB code: 3qmn was solved by Y.Kim, A.S.Halavaty, M.Zhou, K.Kwon, W.F.Anderson, A.Joachimiak, Center Forstructural Genomics Of Infectious Diseases (Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.89 / 1.85
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 94.553, 139.039, 138.319, 90.00, 93.72, 90.00
R / Rfree (%) 15.6 / 19.1

Other elements in 3qmn:

The structure of Crystal Structure of 4'-Phosphopantetheinyl Transferase Acps From Vibrio Cholerae O1 Biovar Eltor also contains other interesting chemical elements:

Calcium (Ca) 46 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of 4'-Phosphopantetheinyl Transferase Acps From Vibrio Cholerae O1 Biovar Eltor (pdb code 3qmn). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 9 binding sites of Chlorine where determined in the Crystal Structure of 4'-Phosphopantetheinyl Transferase Acps From Vibrio Cholerae O1 Biovar Eltor, PDB code: 3qmn:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9;

Chlorine binding site 1 out of 9 in 3qmn

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Chlorine binding site 1 out of 9 in the Crystal Structure of 4'-Phosphopantetheinyl Transferase Acps From Vibrio Cholerae O1 Biovar Eltor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of 4'-Phosphopantetheinyl Transferase Acps From Vibrio Cholerae O1 Biovar Eltor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl128

b:48.7
occ:1.00
 O A:HOH132 3.1 20.3 1.0
OE1 A:GLN44 3.1 31.8 0.5
NZ A:LYS51 3.1 23.7 1.0
O A:HOH172 3.3 31.3 1.0
CE A:LYS51 3.5 23.8 1.0
CA A:PHE48 3.6 18.8 1.0
CG A:GLN44 3.7 27.4 0.5
N A:PHE48 3.7 18.8 1.0
CD A:GLN44 3.7 29.5 0.5
CB A:PHE48 3.8 18.9 1.0
CD1 A:PHE48 4.2 22.1 1.0
O A:GLN44 4.3 21.6 0.5
O A:GLN44 4.3 21.5 0.5
C A:ARG47 4.3 19.3 1.0
O A:HOH2182 4.4 30.8 1.0
CG A:PHE48 4.4 20.6 1.0
O8A A:COA127 4.5 28.8 1.0
OG A:SER42 4.6 25.9 1.0
CB A:ARG47 4.6 22.7 1.0
O A:HOH150 4.6 12.3 0.5
O A:ARG47 4.7 17.9 1.0
OXT A:ACT2597 4.9 38.6 0.9
O A:HOH2367 4.9 35.6 1.0

Chlorine binding site 2 out of 9 in 3qmn

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Chlorine binding site 2 out of 9 in the Crystal Structure of 4'-Phosphopantetheinyl Transferase Acps From Vibrio Cholerae O1 Biovar Eltor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of 4'-Phosphopantetheinyl Transferase Acps From Vibrio Cholerae O1 Biovar Eltor within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl2558

b:41.0
occ:1.00
 O C:HOH2196 2.7 30.1 0.5
NE2 C:GLN44 3.0 27.9 0.5
O C:HOH195 3.0 20.1 1.0
NZ C:LYS51 3.1 19.2 1.0
O C:HOH248 3.2 24.6 1.0
CE C:LYS51 3.5 20.2 1.0
CA C:PHE48 3.7 15.6 1.0
CG C:GLN44 3.8 22.7 0.5
N C:PHE48 3.8 16.1 1.0
CD C:GLN44 3.9 26.5 0.5
CB C:PHE48 3.9 16.3 1.0
CD1 C:PHE48 4.3 19.5 1.0
O C:HOH219 4.4 32.9 1.0
C C:ARG47 4.4 16.0 1.0
O C:GLN44 4.5 17.8 0.5
O C:GLN44 4.5 17.8 0.5
CG C:PHE48 4.5 17.6 1.0
O8A C:COA169 4.6 27.0 1.0
O C:HOH2187 4.6 17.8 0.5
CB C:ARG47 4.7 18.5 1.0
O C:ARG47 4.7 15.0 1.0
OG C:SER42 4.8 19.2 1.0

Chlorine binding site 3 out of 9 in 3qmn

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Chlorine binding site 3 out of 9 in the Crystal Structure of 4'-Phosphopantetheinyl Transferase Acps From Vibrio Cholerae O1 Biovar Eltor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of 4'-Phosphopantetheinyl Transferase Acps From Vibrio Cholerae O1 Biovar Eltor within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl2591

b:42.6
occ:1.00
 NZ E:LYS51 3.0 23.4 1.0
O E:HOH415 3.1 26.2 1.0
O E:HOH448 3.3 37.3 1.0
CE E:LYS51 3.5 24.1 1.0
CA E:PHE48 3.6 21.4 1.0
N E:PHE48 3.7 20.6 1.0
CB E:PHE48 3.8 22.0 1.0
CD1 E:PHE48 4.3 24.4 1.0
C E:ARG47 4.3 21.0 1.0
OE1 E:GLN44 4.3 46.1 1.0
O E:GLN44 4.4 21.9 1.0
CG E:PHE48 4.5 21.5 1.0
CB E:ARG47 4.5 24.1 1.0
O8A E:COA387 4.6 28.6 1.0
O E:HOH400 4.7 7.1 0.5
O E:ARG47 4.7 19.6 1.0
OG E:SER42 4.7 25.2 1.0
CB E:GLN44 4.8 27.3 1.0
CD E:LYS51 5.0 23.9 1.0

Chlorine binding site 4 out of 9 in 3qmn

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Chlorine binding site 4 out of 9 in the Crystal Structure of 4'-Phosphopantetheinyl Transferase Acps From Vibrio Cholerae O1 Biovar Eltor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of 4'-Phosphopantetheinyl Transferase Acps From Vibrio Cholerae O1 Biovar Eltor within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Cl2574

b:51.8
occ:1.00
 NZ G:LYS51 3.0 25.0 1.0
O G:HOH2268 3.1 17.8 0.5
O G:HOH604 3.2 25.5 1.0
O G:HOH588 3.2 29.6 1.0
CE G:LYS51 3.4 25.5 1.0
CA G:PHE48 3.6 24.0 1.0
N G:PHE48 3.8 24.5 1.0
CB G:PHE48 3.8 24.6 1.0
CD1 G:PHE48 4.1 28.1 1.0
OE1 G:GLN44 4.2 35.1 0.5
C G:ARG47 4.3 24.3 1.0
O G:HOH2206 4.4 33.4 1.0
CG G:PHE48 4.4 25.6 1.0
O8A G:COA570 4.4 32.8 1.0
O G:GLN44 4.4 27.4 0.5
O G:GLN44 4.5 27.3 0.5
O G:ARG47 4.6 24.9 1.0
CB G:ARG47 4.7 26.0 1.0
OG G:SER42 4.8 30.4 1.0
O G:HOH614 4.8 24.9 1.0
CD G:LYS51 4.9 22.6 1.0
CB G:GLN44 4.9 29.7 0.5
C G:PHE48 4.9 23.4 1.0

Chlorine binding site 5 out of 9 in 3qmn

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Chlorine binding site 5 out of 9 in the Crystal Structure of 4'-Phosphopantetheinyl Transferase Acps From Vibrio Cholerae O1 Biovar Eltor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of 4'-Phosphopantetheinyl Transferase Acps From Vibrio Cholerae O1 Biovar Eltor within 5.0Å range:
probe atom residue distance (Å) B Occ
J:Cl2541

b:43.0
occ:1.00
 NE2 J:GLN44 3.0 39.1 1.0
O J:HOH806 3.0 21.0 1.0
NZ J:LYS51 3.1 18.9 1.0
O J:HOH2400 3.2 37.1 1.0
O J:HOH841 3.2 24.1 1.0
CE J:LYS51 3.5 20.8 1.0
CA J:PHE48 3.6 16.9 1.0
N J:PHE48 3.8 16.9 1.0
CB J:PHE48 3.8 17.7 1.0
CG J:GLN44 3.9 28.8 1.0
CD J:GLN44 3.9 34.8 1.0
CD1 J:PHE48 4.3 22.7 1.0
C J:ARG47 4.3 16.9 1.0
O J:HOH843 4.3 25.9 1.0
CG J:PHE48 4.5 19.5 1.0
O J:GLN44 4.5 17.4 1.0
O8A J:COA780 4.6 26.1 1.0
O J:ARG47 4.6 16.3 1.0
CB J:ARG47 4.7 19.2 1.0
O J:HOH892 4.7 38.9 1.0
O J:HOH789 4.8 18.6 1.0
OG J:SER42 4.8 22.0 1.0
CD J:LYS51 5.0 17.9 1.0

Chlorine binding site 6 out of 9 in 3qmn

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Chlorine binding site 6 out of 9 in the Crystal Structure of 4'-Phosphopantetheinyl Transferase Acps From Vibrio Cholerae O1 Biovar Eltor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Crystal Structure of 4'-Phosphopantetheinyl Transferase Acps From Vibrio Cholerae O1 Biovar Eltor within 5.0Å range:
probe atom residue distance (Å) B Occ
L:Cl2543

b:43.7
occ:1.00
 NZ L:LYS51 3.1 26.8 1.0
O L:HOH1032 3.1 23.3 1.0
NE2 L:GLN44 3.2 25.5 0.5
O L:HOH1055 3.2 28.9 1.0
CE L:LYS51 3.5 24.2 1.0
CA L:PHE48 3.6 17.1 1.0
N L:PHE48 3.7 17.6 1.0
CB L:PHE48 3.8 18.1 1.0
CG L:GLN44 3.9 24.3 0.5
CD L:GLN44 4.0 26.1 0.5
CD1 L:PHE48 4.1 22.2 1.0
C L:ARG47 4.3 17.6 1.0
O L:GLN44 4.3 19.0 0.5
O L:GLN44 4.4 19.3 0.5
CG L:PHE48 4.4 19.0 1.0
O L:HOH1087 4.4 37.3 1.0
O8A L:COA1008 4.5 28.9 1.0
CB L:ARG47 4.7 20.5 1.0
OG L:SER42 4.7 21.8 1.0
O L:ARG47 4.7 16.6 1.0
O L:HOH1057 4.8 23.2 1.0
CD L:LYS51 5.0 22.6 1.0
C L:PHE48 5.0 16.4 1.0
CB L:GLN44 5.0 22.4 0.5

Chlorine binding site 7 out of 9 in 3qmn

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Chlorine binding site 7 out of 9 in the Crystal Structure of 4'-Phosphopantetheinyl Transferase Acps From Vibrio Cholerae O1 Biovar Eltor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Crystal Structure of 4'-Phosphopantetheinyl Transferase Acps From Vibrio Cholerae O1 Biovar Eltor within 5.0Å range:
probe atom residue distance (Å) B Occ
M:Cl2555

b:48.9
occ:1.00
 NE2 M:GLN44 2.8 30.4 0.5
O O:HOH2407 3.1 32.6 1.0
NZ M:LYS51 3.1 23.9 1.0
O M:HOH1156 3.1 18.2 1.0
CE M:LYS51 3.5 23.3 1.0
CG M:GLN44 3.6 25.5 0.5
CA M:PHE48 3.6 18.8 1.0
CD M:GLN44 3.6 29.2 0.5
N M:PHE48 3.7 19.9 1.0
CB M:PHE48 3.8 19.6 1.0
O M:HOH1207 4.2 28.8 1.0
C M:ARG47 4.3 19.2 1.0
CD1 M:PHE48 4.3 23.0 1.0
O M:GLN44 4.3 20.8 0.5
O M:GLN44 4.3 20.7 0.5
CG M:PHE48 4.5 18.7 1.0
CB M:ARG47 4.5 22.2 1.0
O8A O:COA1127 4.6 29.3 1.0
O M:ARG47 4.7 18.3 1.0
OG M:SER42 4.7 25.4 1.0
OE1 M:GLN44 4.8 31.3 0.5
O M:HOH2221 4.8 8.7 0.5
CB M:GLN44 5.0 23.9 0.5
CD M:LYS51 5.0 21.6 1.0
CB M:GLN44 5.0 24.3 0.5

Chlorine binding site 8 out of 9 in 3qmn

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Chlorine binding site 8 out of 9 in the Crystal Structure of 4'-Phosphopantetheinyl Transferase Acps From Vibrio Cholerae O1 Biovar Eltor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Crystal Structure of 4'-Phosphopantetheinyl Transferase Acps From Vibrio Cholerae O1 Biovar Eltor within 5.0Å range:
probe atom residue distance (Å) B Occ
P:Cl2544

b:50.0
occ:1.00
 NE2 P:GLN44 3.0 31.2 0.5
NZ P:LYS51 3.1 23.6 1.0
O P:HOH1477 3.1 35.9 1.0
O P:HOH1458 3.1 25.4 1.0
CE P:LYS51 3.5 24.3 1.0
CA P:PHE48 3.6 19.1 1.0
N P:PHE48 3.8 18.7 1.0
CB P:PHE48 3.8 20.6 1.0
CD P:GLN44 3.9 30.9 0.5
CG P:GLN44 3.9 27.4 0.5
CD1 P:PHE48 4.2 23.7 1.0
O P:HOH1450 4.3 23.6 1.0
C P:ARG47 4.4 19.4 1.0
CG P:PHE48 4.4 20.8 1.0
O P:GLN44 4.5 21.1 0.5
O P:GLN44 4.5 21.5 0.5
O8A P:COA1424 4.5 29.1 1.0
CB P:ARG47 4.7 21.4 1.0
O P:HOH1436 4.7 23.6 1.0
OG P:SER42 4.7 26.2 1.0
O P:ARG47 4.8 20.0 1.0

Chlorine binding site 9 out of 9 in 3qmn

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Chlorine binding site 9 out of 9 in the Crystal Structure of 4'-Phosphopantetheinyl Transferase Acps From Vibrio Cholerae O1 Biovar Eltor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Crystal Structure of 4'-Phosphopantetheinyl Transferase Acps From Vibrio Cholerae O1 Biovar Eltor within 5.0Å range:
probe atom residue distance (Å) B Occ
T:Cl2592

b:51.8
occ:1.00
 O T:HOH1810 3.0 19.0 1.0
NZ T:LYS51 3.1 25.1 1.0
OE1 T:GLN44 3.2 40.5 1.0
O T:HOH1831 3.3 26.3 1.0
CA T:PHE48 3.5 22.9 1.0
CE T:LYS51 3.5 23.8 1.0
CB T:PHE48 3.6 23.5 1.0
N T:PHE48 3.7 22.2 1.0
CD T:GLN44 4.0 38.0 1.0
CG T:GLN44 4.0 31.8 1.0
CD1 T:PHE48 4.0 29.6 1.0
C T:ARG47 4.2 21.3 1.0
CG T:PHE48 4.3 25.5 1.0
O T:GLN44 4.5 21.5 1.0
O T:HOH1813 4.6 21.9 1.0
CB T:ARG47 4.6 23.3 1.0
O T:ARG47 4.6 19.9 1.0
O8A T:COA1791 4.6 26.9 1.0
O T:HOH1815 4.6 23.9 1.0
OG T:SER42 4.7 28.8 1.0
C T:PHE48 4.9 22.2 1.0

Reference:

A.S.Halavaty, Y.Kim, G.Minasov, L.Shuvalova, I.Dubrovska, J.Winsor, M.Zhou, O.Onopriyenko, T.Skarina, L.Papazisi, K.Kwon, S.N.Peterson, A.Joachimiak, A.Savchenko, W.F.Anderson. Structural Characterization and Comparison of Three Acyl-Carrier-Protein Synthases From Pathogenic Bacteria. Acta Crystallogr.,Sect.D V. 68 1359 2012.
ISSN: ISSN 0907-4449
PubMed: 22993090
DOI: 10.1107/S0907444912029101
Page generated: Sat Dec 12 10:04:53 2020

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