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Chlorine in PDB 3tji: Crystal Structure of An Enolase From Enterobacter Sp. 638 (Efi Target Efi-501662) with Bound Mg

Protein crystallography data

The structure of Crystal Structure of An Enolase From Enterobacter Sp. 638 (Efi Target Efi-501662) with Bound Mg, PDB code: 3tji was solved by M.W.Vetting, R.Toro, R.Bhosle, S.R.Wasserman, L.L.Morisco, B.Hillerich, E.Washington, A.Scott Glenn, S.Chowdhury, B.Evans, J.Hammonds, W.D.Zencheck, H.J.Imker, J.A.Gerlt, S.C.Almo, Enzyme Function Initiative(Efi), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 128.80 / 1.80
Space group P 42 21 2
Cell size a, b, c (Å), α, β, γ (°) 182.150, 182.150, 104.800, 90.00, 90.00, 90.00
R / Rfree (%) 25.2 / 28.2

Other elements in 3tji:

The structure of Crystal Structure of An Enolase From Enterobacter Sp. 638 (Efi Target Efi-501662) with Bound Mg also contains other interesting chemical elements:

Magnesium (Mg) 4 atoms

Chlorine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 12;

Binding sites:

The binding sites of Chlorine atom in the Crystal Structure of An Enolase From Enterobacter Sp. 638 (Efi Target Efi-501662) with Bound Mg (pdb code 3tji). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 12 binding sites of Chlorine where determined in the Crystal Structure of An Enolase From Enterobacter Sp. 638 (Efi Target Efi-501662) with Bound Mg, PDB code: 3tji:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 12 in 3tji

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Chlorine binding site 1 out of 12 in the Crystal Structure of An Enolase From Enterobacter Sp. 638 (Efi Target Efi-501662) with Bound Mg


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 An Enolase From Enterobacter Sp. 638 (Efi Target Efi-501662) with Bound Mg within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl401

b:15.6
occ:1.00
 N A:LEU85 3.5 9.8 1.0
N C:LEU85 3.5 10.5 1.0
CB A:LEU85 3.7 9.4 1.0
CB C:LEU85 3.7 9.7 1.0
CD C:PRO84 3.8 9.2 1.0
CD A:PRO84 3.8 8.9 1.0
CA C:GLY83 3.9 9.4 1.0
N A:PRO84 3.9 9.7 1.0
N C:PRO84 3.9 10.0 1.0
N A:MET86 3.9 9.4 1.0
CG A:MET86 3.9 13.2 1.0
C C:GLY83 3.9 9.6 1.0
C A:GLY83 3.9 9.3 1.0
CA A:GLY83 4.0 9.3 1.0
N C:MET86 4.0 9.8 1.0
CA A:LEU85 4.1 9.3 1.0
CG C:MET86 4.1 12.2 1.0
CA C:LEU85 4.1 9.1 1.0
CD1 C:LEU85 4.2 11.2 1.0
O A:ASN82 4.3 9.5 1.0
CG C:PRO84 4.3 10.0 1.0
CG C:LEU85 4.3 9.5 1.0
CD1 A:LEU85 4.3 8.7 1.0
CG A:LEU85 4.4 10.3 1.0
CG A:PRO84 4.4 9.2 1.0
O C:ASN82 4.4 9.4 1.0
O A:GLY83 4.5 10.5 1.0
O C:GLY83 4.5 10.0 1.0
C A:LEU85 4.5 9.1 1.0
C A:PRO84 4.6 10.0 1.0
C C:PRO84 4.6 10.3 1.0
C C:LEU85 4.6 9.5 1.0
CB A:MET86 4.7 9.1 1.0
CA C:PRO84 4.7 10.2 1.0
CA A:PRO84 4.8 9.7 1.0
CB C:MET86 4.8 9.7 1.0
CA A:MET86 5.0 9.5 1.0
SD A:MET86 5.0 16.4 1.0
N C:GLY83 5.0 9.4 1.0

Chlorine binding site 2 out of 12 in 3tji

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Chlorine binding site 2 out of 12 in the Crystal Structure of An Enolase From Enterobacter Sp. 638 (Efi Target Efi-501662) with Bound Mg


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 An Enolase From Enterobacter Sp. 638 (Efi Target Efi-501662) with Bound Mg within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl402

b:22.9
occ:1.00
 O A:HOH860 2.9 12.5 1.0
N A:ASP177 3.2 12.3 1.0
CD1 A:TYR157 3.7 16.2 1.0
CA A:PHE176 3.7 12.0 1.0
CB A:PHE176 3.8 11.7 1.0
C A:PHE176 3.9 12.3 1.0
CB A:ASP177 4.0 13.9 1.0
CD2 A:LEU164 4.0 32.3 1.0
O A:ASP177 4.1 12.1 1.0
CA A:ASP177 4.1 12.9 1.0
CG A:GLU180 4.1 18.7 1.0
CE1 A:TYR157 4.2 16.0 1.0
CB A:GLU180 4.4 15.0 1.0
C A:ASP177 4.5 12.3 1.0
CG A:TYR157 4.8 16.7 1.0
CG A:PHE176 4.9 11.4 1.0
CD2 A:PHE176 4.9 11.8 1.0
O A:PHE156 4.9 18.7 1.0
CA A:TYR157 4.9 19.2 1.0
CB A:TYR157 4.9 18.5 1.0
O A:TRP175 4.9 13.2 1.0

Chlorine binding site 3 out of 12 in 3tji

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Chlorine binding site 3 out of 12 in the Crystal Structure of An Enolase From Enterobacter Sp. 638 (Efi Target Efi-501662) with Bound Mg


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 An Enolase From Enterobacter Sp. 638 (Efi Target Efi-501662) with Bound Mg within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl403

b:19.4
occ:1.00
 O C:HOH649 3.1 13.1 1.0
O A:HOH584 3.2 24.2 1.0
O C:HOH535 3.3 8.1 1.0
NH1 C:ARG81 3.3 11.9 1.0
N A:GLN237 3.3 12.2 1.0
CB A:GLN237 3.4 13.9 1.0
CB A:PRO235 3.7 9.6 1.0
CD A:PRO236 3.8 10.2 1.0
CG A:GLN237 3.8 15.8 1.0
N A:PRO236 3.9 10.6 1.0
CA A:GLN237 4.0 12.9 1.0
NE2 A:GLN237 4.0 20.5 1.0
NE C:ARG81 4.1 12.2 1.0
CZ C:ARG81 4.1 13.0 1.0
CB A:PRO236 4.2 12.2 1.0
C A:PRO236 4.3 11.8 1.0
CG2 A:THR398 4.3 13.3 1.0
C A:PRO235 4.3 9.7 1.0
CD A:GLN237 4.3 18.1 1.0
CA A:PRO236 4.4 11.1 1.0
CG A:PRO235 4.5 9.5 1.0
CG A:PRO236 4.5 10.8 1.0
CA A:PRO235 4.5 9.2 1.0
OE1 A:GLU208 5.0 9.2 1.0

Chlorine binding site 4 out of 12 in 3tji

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Chlorine binding site 4 out of 12 in the Crystal Structure of An Enolase From Enterobacter Sp. 638 (Efi Target Efi-501662) with Bound Mg


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 An Enolase From Enterobacter Sp. 638 (Efi Target Efi-501662) with Bound Mg within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl404

b:21.4
occ:1.00
 O A:HOH768 3.1 13.4 1.0
NH2 A:ARG81 3.1 6.2 0.5
O A:HOH503 3.2 7.0 1.0
N C:GLN237 3.2 12.0 1.0
O C:HOH980 3.3 14.4 1.0
CB C:GLN237 3.3 13.7 1.0
NH1 A:ARG81 3.5 11.2 0.5
CG C:GLN237 3.6 15.5 1.0
CD C:PRO236 3.7 10.3 1.0
N C:PRO236 3.8 10.6 1.0
CB C:PRO235 3.8 9.9 1.0
CA C:GLN237 3.9 12.4 1.0
NE2 C:GLN237 3.9 19.1 1.0
NE A:ARG81 4.0 6.1 0.5
CZ A:ARG81 4.0 6.2 0.5
CD C:GLN237 4.1 17.2 1.0
C C:PRO236 4.2 11.0 1.0
C C:PRO235 4.3 9.6 1.0
CB C:PRO236 4.4 11.2 1.0
CA C:PRO236 4.4 10.6 1.0
CG2 C:THR398 4.4 13.2 1.0
CG C:PRO236 4.5 10.8 1.0
CG C:PRO235 4.6 8.0 1.0
CA C:PRO235 4.6 9.1 1.0
CD A:ARG81 4.6 8.1 0.5
CZ A:ARG81 4.7 11.0 0.5
C C:GLN237 5.0 12.1 1.0

Chlorine binding site 5 out of 12 in 3tji

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Chlorine binding site 5 out of 12 in the Crystal Structure of An Enolase From Enterobacter Sp. 638 (Efi Target Efi-501662) with Bound Mg


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 An Enolase From Enterobacter Sp. 638 (Efi Target Efi-501662) with Bound Mg within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl401

b:12.4
occ:1.00
 N D:LEU85 3.5 9.7 1.0
N B:LEU85 3.6 8.9 1.0
CB D:LEU85 3.6 8.3 1.0
CB B:LEU85 3.6 7.6 1.0
CD D:PRO84 3.8 9.1 1.0
CD B:PRO84 3.8 8.2 1.0
CG B:MET86 3.9 11.9 1.0
CA D:GLY83 3.9 8.7 1.0
C D:GLY83 3.9 8.7 1.0
N B:PRO84 4.0 8.1 1.0
N B:MET86 4.0 9.2 1.0
C B:GLY83 4.0 8.0 1.0
N D:PRO84 4.0 8.6 1.0
N D:MET86 4.0 9.8 1.0
CG D:MET86 4.0 10.8 1.0
CA B:GLY83 4.0 8.1 1.0
CA D:LEU85 4.1 8.5 1.0
CA B:LEU85 4.1 8.4 1.0
CD1 D:LEU85 4.2 11.3 1.0
CG D:PRO84 4.2 9.4 1.0
CG D:LEU85 4.3 6.8 1.0
O B:ASN82 4.3 9.4 1.0
CD1 B:LEU85 4.3 7.7 1.0
CG B:PRO84 4.3 8.5 1.0
CG B:LEU85 4.4 8.0 1.0
O D:ASN82 4.4 9.6 1.0
O B:GLY83 4.5 9.1 1.0
O D:GLY83 4.5 9.2 1.0
C D:PRO84 4.6 9.4 1.0
C B:LEU85 4.6 8.6 1.0
C D:LEU85 4.6 9.2 1.0
C B:PRO84 4.6 8.8 1.0
CB B:MET86 4.7 9.4 1.0
CA D:PRO84 4.7 9.1 1.0
CA B:PRO84 4.8 8.4 1.0
CB D:MET86 4.8 10.0 1.0
CA B:MET86 5.0 9.3 1.0
SD B:MET86 5.0 16.8 1.0

Chlorine binding site 6 out of 12 in 3tji

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Chlorine binding site 6 out of 12 in the Crystal Structure of An Enolase From Enterobacter Sp. 638 (Efi Target Efi-501662) with Bound Mg


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 An Enolase From Enterobacter Sp. 638 (Efi Target Efi-501662) with Bound Mg within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl402

b:17.9
occ:1.00
 O B:HOH450 2.7 12.9 1.0
NH2 B:ARG272 3.4 12.4 1.0
NE B:ARG272 3.4 11.6 1.0
C B:PHE300 3.5 8.4 1.0
O B:PHE300 3.6 8.8 1.0
CA B:PHE300 3.7 7.9 1.0
CZ B:ARG272 3.8 12.4 1.0
O B:ALA299 3.8 9.1 1.0
O B:HOH583 3.9 15.8 1.0
N B:GLY301 4.0 8.7 1.0
CD B:ARG272 4.5 9.9 1.0
CA B:GLY301 4.6 8.5 1.0
C B:ALA299 4.6 8.6 1.0
N B:PHE300 4.6 7.8 1.0
O B:HOH1212 4.7 19.2 1.0
CB B:PHE300 4.9 7.4 1.0

Chlorine binding site 7 out of 12 in 3tji

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Chlorine binding site 7 out of 12 in the Crystal Structure of An Enolase From Enterobacter Sp. 638 (Efi Target Efi-501662) with Bound Mg


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 An Enolase From Enterobacter Sp. 638 (Efi Target Efi-501662) with Bound Mg within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl403

b:35.1
occ:1.00
 O B:HOH795 3.2 13.6 1.0
N B:ARG338 3.5 15.7 1.0
CZ B:ARG338 3.8 13.6 1.0
CE1 B:PHE335 3.8 13.3 1.0
CZ B:PHE335 3.8 12.2 1.0
NH1 B:ARG338 3.9 13.5 1.0
O B:HOH656 4.0 11.2 1.0
CG B:ARG338 4.0 12.8 1.0
CA B:PRO337 4.0 14.8 1.0
NH2 B:ARG338 4.0 15.3 1.0
O B:HOH1063 4.1 21.7 1.0
CB B:ARG338 4.1 15.1 1.0
NE B:ARG338 4.1 12.3 1.0
C B:PRO337 4.3 15.1 1.0
CA B:ARG338 4.4 15.3 1.0
O B:ARG338 4.4 16.5 1.0
CB B:PRO337 4.5 15.3 1.0
CD B:ARG338 4.7 10.9 1.0
ND2 B:ASN343 4.7 19.0 1.0
C B:ARG338 4.9 16.1 1.0
CG B:GLU351 4.9 16.3 0.5
O B:HOH611 4.9 10.6 1.0
O B:PRO350 4.9 15.2 1.0

Chlorine binding site 8 out of 12 in 3tji

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Chlorine binding site 8 out of 12 in the Crystal Structure of An Enolase From Enterobacter Sp. 638 (Efi Target Efi-501662) with Bound Mg


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 An Enolase From Enterobacter Sp. 638 (Efi Target Efi-501662) with Bound Mg within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl401

b:17.3
occ:1.00
 O C:HOH468 2.9 10.5 1.0
O C:HOH669 3.1 8.6 1.0
NH2 D:ARG272 3.3 7.5 1.0
NE D:ARG272 3.3 9.3 1.0
O C:GLN237 3.4 12.9 1.0
NE1 C:TRP241 3.4 6.0 1.0
C D:PHE300 3.5 8.6 1.0
CD1 C:TRP241 3.5 6.1 1.0
O D:PHE300 3.6 9.4 1.0
CA D:PHE300 3.7 7.8 1.0
CA C:GLN238 3.8 9.8 1.0
CZ D:ARG272 3.8 8.5 1.0
O D:ALA299 3.9 8.1 1.0
N D:GLY301 4.0 9.3 1.0
CG C:GLN238 4.1 12.4 1.0
CB C:GLN238 4.3 10.1 1.0
C C:GLN237 4.4 12.1 1.0
C C:GLN238 4.5 9.0 1.0
O D:HOH724 4.5 17.6 1.0
CD D:ARG272 4.5 7.8 1.0
CA D:GLY301 4.5 8.8 1.0
N C:GLN238 4.6 10.7 1.0
N D:PHE300 4.6 7.6 1.0
C D:ALA299 4.6 7.7 1.0
CB C:ALA240 4.7 8.8 1.0
O C:GLN238 4.7 7.9 1.0
CE2 C:TRP241 4.7 6.9 1.0
CG C:TRP241 4.9 5.9 1.0
CB D:PHE300 4.9 7.0 1.0

Chlorine binding site 9 out of 12 in 3tji

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Chlorine binding site 9 out of 12 in the Crystal Structure of An Enolase From Enterobacter Sp. 638 (Efi Target Efi-501662) with Bound Mg


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 An Enolase From Enterobacter Sp. 638 (Efi Target Efi-501662) with Bound Mg within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl402

b:22.5
occ:1.00
 O C:HOH973 3.2 8.1 1.0
N C:ASP177 3.2 12.1 1.0
CA C:PHE176 3.7 11.4 1.0
CD1 C:TYR157 3.8 16.8 1.0
CB C:PHE176 3.8 11.0 1.0
CB C:ASP177 3.9 13.5 1.0
C C:PHE176 3.9 11.7 1.0
CA C:ASP177 4.0 12.5 1.0
O C:ASP177 4.1 11.6 1.0
CG C:GLU180 4.2 20.0 1.0
CE1 C:TYR157 4.3 16.5 1.0
CB C:GLU180 4.3 15.6 1.0
CD1 C:LEU164 4.4 36.7 1.0
C C:ASP177 4.5 12.1 1.0
CG C:TYR157 4.9 17.2 1.0
CG C:PHE176 4.9 10.8 1.0
O C:PHE156 4.9 20.5 1.0
CD2 C:PHE176 4.9 11.0 1.0
O C:TRP175 4.9 12.1 1.0
CA C:TYR157 5.0 19.8 1.0

Chlorine binding site 10 out of 12 in 3tji

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Chlorine binding site 10 out of 12 in the Crystal Structure of An Enolase From Enterobacter Sp. 638 (Efi Target Efi-501662) with Bound Mg


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Crystal Structure of An Enolase From Enterobacter Sp. 638 (Efi Target Efi-501662) with Bound Mg within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl403

b:17.4
occ:1.00
 NH2 C:ARG272 3.2 8.1 1.0
NE C:ARG272 3.3 9.1 1.0
C C:PHE300 3.5 8.3 1.0
O C:PHE300 3.5 8.3 1.0
CZ C:ARG272 3.7 8.4 1.0
CA C:PHE300 3.7 7.6 1.0
O C:ALA299 3.9 7.4 1.0
N C:GLY301 4.0 8.4 1.0
CD C:ARG272 4.5 5.8 1.0
CA C:GLY301 4.5 8.2 1.0
N C:PHE300 4.6 7.8 1.0
C C:ALA299 4.6 8.2 1.0
CB C:PHE300 4.8 7.7 1.0

Reference:

M.W.Vetting, R.Toro, R.Bhosle, S.R.Wasserman, L.L.Morisco, B.Hillerich, E.Washington, A.Scott Glenn, S.Chowdhury, B.Evans, J.Hammonds, W.D.Zencheck, H.J.Imker, J.A.Gerlt, S.C.Almo, Enzyme Function Initiative (Efi). Crystal Structure of An Enolase From Enterobacter Sp. 638 (Efi Target Efi-501662) with Boung Mg To Be Published.
Page generated: Sun Jul 21 05:17:19 2024

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