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Chlorine in PDB 4oen: Crystal Structure of the Second Substrate Binding Domain of A Putative Amino Acid Abc Transporter From Streptococcus Pneumoniae Canada MDR_19A

Protein crystallography data

The structure of Crystal Structure of the Second Substrate Binding Domain of A Putative Amino Acid Abc Transporter From Streptococcus Pneumoniae Canada MDR_19A, PDB code: 4oen was solved by P.J.Stogios, Z.Wawrzak, M.Kudritska, V.Yim, A.Savchenko, W.F.Anderson, Center For Structural Genomics Of Infectious Diseases (Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 27.40 / 1.65
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 42.432, 109.606, 57.922, 90.00, 111.11, 90.00
R / Rfree (%) 16.1 / 19.6

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of the Second Substrate Binding Domain of A Putative Amino Acid Abc Transporter From Streptococcus Pneumoniae Canada MDR_19A (pdb code 4oen). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 8 binding sites of Chlorine where determined in the Crystal Structure of the Second Substrate Binding Domain of A Putative Amino Acid Abc Transporter From Streptococcus Pneumoniae Canada MDR_19A, PDB code: 4oen:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Chlorine binding site 1 out of 8 in 4oen

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Chlorine binding site 1 out of 8 in the Crystal Structure of the Second Substrate Binding Domain of A Putative Amino Acid Abc Transporter From Streptococcus Pneumoniae Canada MDR_19A


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 the Second Substrate Binding Domain of A Putative Amino Acid Abc Transporter From Streptococcus Pneumoniae Canada MDR_19A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl502

b:25.9
occ:1.00
 O A:HOH674 3.0 32.1 1.0
N A:PHE346 3.2 18.4 1.0
O A:HOH645 3.3 26.8 1.0
O A:HOH751 3.6 55.0 1.0
CA A:ASP345 3.9 15.2 1.0
CG A:LYS341 3.9 22.7 1.0
CD2 A:PHE346 3.9 18.2 1.0
CB A:PHE346 4.0 15.4 1.0
O A:PHE344 4.0 20.6 1.0
C A:ASP345 4.1 16.0 1.0
CA A:PHE346 4.1 15.9 1.0
CD A:LYS341 4.2 27.2 1.0
CE A:LYS341 4.2 27.6 1.0
O A:PHE346 4.4 17.0 1.0
CG A:PHE346 4.4 14.5 1.0
O A:HOH920 4.5 45.9 1.0
OD1 A:ASP345 4.5 26.2 1.0
O A:HOH919 4.6 44.9 1.0
CB A:LYS341 4.6 21.8 1.0
CB A:ASP345 4.7 20.1 1.0
C A:PHE346 4.8 14.4 1.0
C A:PHE344 4.8 20.0 1.0
N A:ASP345 4.8 19.1 1.0

Chlorine binding site 2 out of 8 in 4oen

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Chlorine binding site 2 out of 8 in the Crystal Structure of the Second Substrate Binding Domain of A Putative Amino Acid Abc Transporter From Streptococcus Pneumoniae Canada MDR_19A


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 the Second Substrate Binding Domain of A Putative Amino Acid Abc Transporter From Streptococcus Pneumoniae Canada MDR_19A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl503

b:52.8
occ:1.00
 O A:HOH871 3.2 37.5 1.0
N A:ALA403 3.2 19.5 1.0
OG A:SER407 3.7 43.6 1.0
CB A:ALA403 3.8 25.6 1.0
O A:HOH817 3.9 40.9 1.0
CA A:PHE402 3.9 17.9 1.0
CB A:SER407 3.9 30.1 1.0
CD1 A:PHE402 4.0 23.2 1.0
C A:PHE402 4.0 16.0 1.0
CA A:ALA403 4.1 23.1 1.0
CB A:PHE402 4.2 20.7 1.0
O A:HOH797 4.3 35.1 1.0
OD2 A:ASP404 4.4 46.5 1.0
N A:ASP404 4.5 23.3 1.0
CG A:PHE402 4.6 19.6 1.0
C A:ALA403 4.8 23.1 1.0
O A:THR401 4.8 23.1 1.0

Chlorine binding site 3 out of 8 in 4oen

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Chlorine binding site 3 out of 8 in the Crystal Structure of the Second Substrate Binding Domain of A Putative Amino Acid Abc Transporter From Streptococcus Pneumoniae Canada MDR_19A


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 the Second Substrate Binding Domain of A Putative Amino Acid Abc Transporter From Streptococcus Pneumoniae Canada MDR_19A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl504

b:43.8
occ:1.00
 O A:HOH783 2.8 30.4 1.0
N A:ALA383 3.0 15.7 1.0
O A:HOH719 3.1 18.8 0.5
CA A:THR382 3.6 15.1 1.0
C A:THR382 3.8 14.1 1.0
CB A:THR382 3.8 15.3 1.0
CB A:ALA383 3.8 18.6 1.0
O A:HOH611 3.8 19.9 1.0
CA A:ALA383 4.0 14.5 1.0
O A:HOH721 4.3 30.1 1.0
CG2 A:THR382 4.4 17.1 1.0
OD1 A:ASP423 4.6 22.2 1.0
O A:GLY381 4.6 23.5 1.0
O A:HOH719 4.7 25.0 0.5
OD2 A:ASP423 4.8 23.3 1.0
N A:THR382 4.9 14.7 1.0
O A:THR382 5.0 16.0 1.0

Chlorine binding site 4 out of 8 in 4oen

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Chlorine binding site 4 out of 8 in the Crystal Structure of the Second Substrate Binding Domain of A Putative Amino Acid Abc Transporter From Streptococcus Pneumoniae Canada MDR_19A


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 the Second Substrate Binding Domain of A Putative Amino Acid Abc Transporter From Streptococcus Pneumoniae Canada MDR_19A within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl502

b:30.6
occ:1.00
 O B:HOH612 3.1 28.8 1.0
N B:PHE346 3.2 16.6 1.0
O B:HOH890 3.2 42.4 1.0
O B:HOH716 3.3 27.1 1.0
CG B:LYS341 3.8 23.1 1.0
CD2 B:PHE346 3.8 19.8 1.0
CB B:PHE346 3.9 17.0 1.0
CA B:ASP345 3.9 16.6 1.0
O B:PHE344 4.0 21.3 1.0
C B:ASP345 4.0 20.4 1.0
CA B:PHE346 4.1 15.4 1.0
CD B:LYS341 4.1 31.5 1.0
CG B:PHE346 4.4 18.1 1.0
O B:PHE346 4.4 19.6 1.0
CE B:LYS341 4.4 35.3 1.0
CB B:LYS341 4.4 26.1 1.0
OD1 B:ASP345 4.5 27.9 1.0
C B:PHE346 4.7 18.3 1.0
O B:HOH839 4.8 55.1 1.0
CB B:ASP345 4.8 18.8 1.0
C B:PHE344 4.8 20.6 1.0
N B:ASP345 4.9 18.4 1.0
CE2 B:PHE346 4.9 22.2 1.0
CA B:LYS341 4.9 23.8 1.0

Chlorine binding site 5 out of 8 in 4oen

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Chlorine binding site 5 out of 8 in the Crystal Structure of the Second Substrate Binding Domain of A Putative Amino Acid Abc Transporter From Streptococcus Pneumoniae Canada MDR_19A


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 the Second Substrate Binding Domain of A Putative Amino Acid Abc Transporter From Streptococcus Pneumoniae Canada MDR_19A within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl503

b:41.0
occ:1.00
 N B:ALA403 3.2 15.7 1.0
O B:HOH682 3.4 32.7 1.0
CB B:SER407 3.7 19.9 1.0
OG B:SER407 3.8 31.1 1.0
CA B:PHE402 3.9 13.3 1.0
CB B:ALA403 3.9 20.8 1.0
C B:PHE402 4.0 11.9 1.0
CD1 B:PHE402 4.1 15.4 1.0
CB B:PHE402 4.1 13.2 1.0
CA B:ALA403 4.1 19.7 1.0
O B:HOH824 4.4 48.4 1.0
CG B:PHE402 4.6 13.9 1.0
N B:ASP404 4.6 20.7 1.0
O B:HOH700 4.7 44.4 1.0
O B:HOH729 4.9 40.1 1.0
C B:ALA403 4.9 20.2 1.0
O B:THR401 4.9 17.4 1.0

Chlorine binding site 6 out of 8 in 4oen

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Chlorine binding site 6 out of 8 in the Crystal Structure of the Second Substrate Binding Domain of A Putative Amino Acid Abc Transporter From Streptococcus Pneumoniae Canada MDR_19A


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 the Second Substrate Binding Domain of A Putative Amino Acid Abc Transporter From Streptococcus Pneumoniae Canada MDR_19A within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl504

b:47.8
occ:1.00
 O B:HOH933 3.1 47.9 1.0
N B:GLY405 3.4 18.1 1.0
NZ B:LYS379 3.4 29.3 1.0
CE B:LYS379 3.4 36.4 1.0
O B:HOH901 3.5 21.6 1.0
CB B:ASP404 4.0 22.3 1.0
CA B:GLY405 4.1 19.8 1.0
O B:HOH939 4.1 36.7 1.0
CA B:ASP404 4.2 18.2 1.0
C B:ASP404 4.3 16.5 1.0
O B:HOH689 4.4 27.4 0.5
CD B:LYS379 4.7 31.2 1.0
O B:HOH910 4.8 54.3 1.0
O B:HOH847 4.8 47.5 1.0
O B:HOH883 4.9 41.2 1.0

Chlorine binding site 7 out of 8 in 4oen

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Chlorine binding site 7 out of 8 in the Crystal Structure of the Second Substrate Binding Domain of A Putative Amino Acid Abc Transporter From Streptococcus Pneumoniae Canada MDR_19A


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 the Second Substrate Binding Domain of A Putative Amino Acid Abc Transporter From Streptococcus Pneumoniae Canada MDR_19A within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl505

b:47.8
occ:1.00
 NE2 B:GLN304 3.5 25.5 1.0
ND2 B:ASN471 3.6 28.9 1.0
O B:HOH617 3.9 26.2 1.0
O B:HOH798 4.0 30.2 1.0
CB B:ASN467 4.1 23.7 1.0
O B:HOH980 4.2 49.9 1.0
O B:HOH916 4.3 45.9 1.0
CD B:GLN304 4.5 27.3 1.0
OE1 B:GLN304 4.5 28.1 1.0
ND2 B:ASN467 4.5 30.9 1.0
CG B:ASN467 4.5 30.6 1.0
CG B:ASN471 4.5 23.7 1.0
OD1 B:ASN471 4.6 26.4 1.0

Chlorine binding site 8 out of 8 in 4oen

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Chlorine binding site 8 out of 8 in the Crystal Structure of the Second Substrate Binding Domain of A Putative Amino Acid Abc Transporter From Streptococcus Pneumoniae Canada MDR_19A


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 the Second Substrate Binding Domain of A Putative Amino Acid Abc Transporter From Streptococcus Pneumoniae Canada MDR_19A within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl506

b:27.5
occ:1.00
 O B:MET421 2.7 13.6 1.0
O B:HOH628 2.8 19.9 1.0
N B:LYS379 2.9 11.4 1.0
CB B:LYS379 3.4 14.1 1.0
CG B:LYS379 3.5 19.5 1.0
CG2 B:VAL378 3.5 14.6 1.0
CD B:LYS379 3.5 31.2 1.0
CA B:LYS379 3.7 13.7 1.0
CB B:SER384 3.8 13.5 1.0
OD1 B:ASP422 3.8 14.7 1.0
C B:VAL378 3.8 11.5 1.0
CA B:VAL378 3.8 10.0 1.0
C B:MET421 3.9 12.5 1.0
OG1 B:THR382 3.9 13.7 1.0
CA B:ASP422 3.9 11.2 1.0
CE B:MET408 4.0 14.3 1.0
SD B:MET408 4.1 13.8 1.0
CG B:ASP422 4.1 14.4 1.0
OG B:SER384 4.2 14.0 1.0
CB B:ASP422 4.2 11.3 1.0
CB B:VAL378 4.3 10.7 1.0
N B:ASP422 4.4 13.6 1.0
O B:LYS379 4.4 13.6 1.0
C B:LYS379 4.5 13.2 1.0
CG2 B:THR382 4.7 17.4 1.0
CB B:THR382 4.7 14.1 1.0
CE B:LYS379 4.7 36.4 1.0
OD2 B:ASP422 4.8 19.1 1.0
O B:HOH602 4.9 20.0 1.0
O B:VAL378 5.0 11.9 1.0

Reference:

P.J.Stogios, Z.Wawrzak, M.Kudritska, V.Yim, A.Savchenko, W.F.Anderson. Crystal Structure of the Second Substrate Binding Domain of A Putative Amino Acid Abc Transporter From Streptococcus Pneumoniae Canada MDR_19A To Be Published.
Page generated: Thu Jul 25 23:25:25 2024

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