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Chlorine in PDB 5hko: Crystal Structure of Abc Transporter Solute Binding Protein MSMEG_3598 From Mycobacterium Smegmatis Str. MC2 155, Target Efi-510969, in Complex with L-Sorbitol

Enzymatic activity of Crystal Structure of Abc Transporter Solute Binding Protein MSMEG_3598 From Mycobacterium Smegmatis Str. MC2 155, Target Efi-510969, in Complex with L-Sorbitol

All present enzymatic activity of Crystal Structure of Abc Transporter Solute Binding Protein MSMEG_3598 From Mycobacterium Smegmatis Str. MC2 155, Target Efi-510969, in Complex with L-Sorbitol:
3.6.3.17;

Protein crystallography data

The structure of Crystal Structure of Abc Transporter Solute Binding Protein MSMEG_3598 From Mycobacterium Smegmatis Str. MC2 155, Target Efi-510969, in Complex with L-Sorbitol, PDB code: 5hko was solved by Y.Roth, M.W.Vetting, N.F.Al Obaidi, R.Toro, L.L.Morisco, J.Benach, J.Koss, S.R.Wasserman, 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) 47.71 / 1.20
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 62.947, 62.940, 73.153, 90.00, 90.00, 90.00
R / Rfree (%) 15.6 / 17.8

Other elements in 5hko:

The structure of Crystal Structure of Abc Transporter Solute Binding Protein MSMEG_3598 From Mycobacterium Smegmatis Str. MC2 155, Target Efi-510969, in Complex with L-Sorbitol also contains other interesting chemical elements:

Zinc (Zn) 15 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Abc Transporter Solute Binding Protein MSMEG_3598 From Mycobacterium Smegmatis Str. MC2 155, Target Efi-510969, in Complex with L-Sorbitol (pdb code 5hko). 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 Abc Transporter Solute Binding Protein MSMEG_3598 From Mycobacterium Smegmatis Str. MC2 155, Target Efi-510969, in Complex with L-Sorbitol, PDB code: 5hko:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9;

Chlorine binding site 1 out of 9 in 5hko

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Chlorine binding site 1 out of 9 in the Crystal Structure of Abc Transporter Solute Binding Protein MSMEG_3598 From Mycobacterium Smegmatis Str. MC2 155, Target Efi-510969, in Complex with L-Sorbitol


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 Abc Transporter Solute Binding Protein MSMEG_3598 From Mycobacterium Smegmatis Str. MC2 155, Target Efi-510969, in Complex with L-Sorbitol within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl416

b:12.3
occ:1.00
ZN A:ZN401 2.3 12.3 1.0
OE2 A:GLU50 3.4 11.0 1.0
N A:ASP253 3.4 9.6 1.0
OE1 A:GLU252 3.5 12.9 1.0
NH2 A:ARG199 3.6 20.4 1.0
OD2 A:ASP253 3.6 14.3 1.0
CG A:ASP253 3.6 13.3 1.0
CB A:GLU252 3.7 10.6 1.0
N A:GLU252 3.7 8.6 1.0
CL A:CL417 3.8 13.2 1.0
CD1 A:ILE251 3.9 9.0 1.0
CB A:ASP253 3.9 10.7 1.0
CG1 A:ILE251 4.0 8.8 1.0
OD1 A:ASP253 4.1 14.4 1.0
CB A:ILE251 4.1 8.5 1.0
CA A:GLU252 4.1 9.6 1.0
O A:HOH522 4.2 28.5 1.0
CD A:GLU252 4.3 14.2 1.0
C A:GLU252 4.3 9.3 1.0
CA A:ASP253 4.3 10.1 1.0
CG A:GLU252 4.4 13.9 1.0
OG A:SER46 4.4 9.4 1.0
CB A:SER46 4.4 8.1 1.0
C A:ILE251 4.5 8.2 1.0
CD A:GLU50 4.5 12.3 1.0
CZ A:ARG199 4.8 18.2 1.0
CA A:ILE251 4.9 8.2 1.0

Chlorine binding site 2 out of 9 in 5hko

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Chlorine binding site 2 out of 9 in the Crystal Structure of Abc Transporter Solute Binding Protein MSMEG_3598 From Mycobacterium Smegmatis Str. MC2 155, Target Efi-510969, in Complex with L-Sorbitol


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 Abc Transporter Solute Binding Protein MSMEG_3598 From Mycobacterium Smegmatis Str. MC2 155, Target Efi-510969, in Complex with L-Sorbitol within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl417

b:13.2
occ:1.00
ZN A:ZN401 2.2 12.3 1.0
OE1 A:GLU252 3.3 12.9 1.0
OE2 A:GLU50 3.6 11.0 1.0
CG A:GLU50 3.6 9.8 1.0
CL A:CL416 3.8 12.3 1.0
O A:SER46 3.9 8.4 1.0
CG2 A:THR49 4.0 8.4 1.0
N1 A:IMD427 4.0 22.1 1.0
CD A:GLU50 4.0 12.3 1.0
CA A:SER46 4.1 8.1 1.0
CB A:SER46 4.2 8.1 1.0
CB A:THR49 4.2 7.9 1.0
C A:SER46 4.4 7.9 1.0
OG A:SER46 4.4 9.4 1.0
C5 A:IMD427 4.5 18.2 1.0
N A:GLU50 4.5 7.7 1.0
CD A:GLU252 4.6 14.2 1.0
CB A:GLU50 4.8 9.4 1.0

Chlorine binding site 3 out of 9 in 5hko

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Chlorine binding site 3 out of 9 in the Crystal Structure of Abc Transporter Solute Binding Protein MSMEG_3598 From Mycobacterium Smegmatis Str. MC2 155, Target Efi-510969, in Complex with L-Sorbitol


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 Abc Transporter Solute Binding Protein MSMEG_3598 From Mycobacterium Smegmatis Str. MC2 155, Target Efi-510969, in Complex with L-Sorbitol within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl418

b:13.3
occ:1.00
ZN A:ZN408 2.2 11.7 1.0
OD2 A:ASP56 3.4 11.9 1.0
CA A:GLU53 3.7 10.7 1.0
CL A:CL419 3.8 16.0 1.0
CG A:GLU53 3.8 14.4 1.0
CB A:ASP56 3.9 10.2 1.0
CG A:ASP56 4.1 11.3 1.0
CB A:GLU53 4.1 12.7 1.0
N A:GLU53 4.4 9.4 1.0
O A:LYS52 4.6 9.7 1.0
O A:GLU53 4.6 12.2 1.0
C A:GLU53 4.7 11.3 1.0
C A:LYS52 4.8 8.7 1.0
CD A:GLU53 4.8 16.8 1.0
OE2 A:GLU53 4.8 16.2 1.0
NZ A:LYS52 5.0 16.4 1.0

Chlorine binding site 4 out of 9 in 5hko

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Chlorine binding site 4 out of 9 in the Crystal Structure of Abc Transporter Solute Binding Protein MSMEG_3598 From Mycobacterium Smegmatis Str. MC2 155, Target Efi-510969, in Complex with L-Sorbitol


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 Abc Transporter Solute Binding Protein MSMEG_3598 From Mycobacterium Smegmatis Str. MC2 155, Target Efi-510969, in Complex with L-Sorbitol within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl419

b:16.0
occ:1.00
ZN A:ZN408 2.2 11.7 1.0
OD2 A:ASP56 3.4 11.9 1.0
NZ A:LYS60 3.5 40.6 1.0
CB A:ASP56 3.6 10.2 1.0
CE A:LYS60 3.6 33.8 1.0
CL A:CL418 3.8 13.3 1.0
CG A:ASP56 3.9 11.3 1.0
CD A:LYS60 4.4 29.2 1.0
CA A:ASP56 4.8 10.3 1.0
OD1 A:ASP56 4.9 12.9 1.0

Chlorine binding site 5 out of 9 in 5hko

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Chlorine binding site 5 out of 9 in the Crystal Structure of Abc Transporter Solute Binding Protein MSMEG_3598 From Mycobacterium Smegmatis Str. MC2 155, Target Efi-510969, in Complex with L-Sorbitol


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 Abc Transporter Solute Binding Protein MSMEG_3598 From Mycobacterium Smegmatis Str. MC2 155, Target Efi-510969, in Complex with L-Sorbitol within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl420

b:16.6
occ:1.00
ZN A:ZN412 1.7 22.8 0.9
OE2 A:GLU170 2.1 12.1 1.0
O A:HOH746 2.2 18.1 1.0
O A:HOH504 2.7 18.0 1.0
OE1 A:GLU170 2.7 13.2 1.0
CD A:GLU170 2.8 10.6 1.0
NE2 A:GLN162 3.9 10.8 1.0
CG A:GLU170 4.2 11.0 1.0
O A:HOH570 4.6 22.9 1.0
CG1 A:ILE171 4.7 9.6 1.0
CA A:ILE171 4.7 8.4 1.0
O A:GLU170 4.7 9.6 1.0
CD2 A:LEU165 4.7 12.1 1.0
C A:GLU170 4.9 8.5 1.0
N A:ILE171 4.9 8.3 1.0
CB A:GLU170 4.9 11.0 1.0

Chlorine binding site 6 out of 9 in 5hko

Go back to Chlorine Binding Sites List in 5hko
Chlorine binding site 6 out of 9 in the Crystal Structure of Abc Transporter Solute Binding Protein MSMEG_3598 From Mycobacterium Smegmatis Str. MC2 155, Target Efi-510969, in Complex with L-Sorbitol


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 Abc Transporter Solute Binding Protein MSMEG_3598 From Mycobacterium Smegmatis Str. MC2 155, Target Efi-510969, in Complex with L-Sorbitol within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl421

b:11.3
occ:1.00
ZN A:ZN402 2.3 10.2 1.0
O A:HOH773 3.3 16.2 1.0
OD2 A:ASP128 3.4 18.8 1.0
O A:ACT431 3.4 11.2 1.0
OD1 A:ASP128 3.5 20.6 1.0
CH3 A:ACT431 3.7 10.7 1.0
CG A:ASP128 3.7 17.4 1.0
CG A:PRO127 4.0 13.3 1.0
C A:ACT431 4.0 10.0 1.0
CD A:PRO127 4.8 12.6 1.0

Chlorine binding site 7 out of 9 in 5hko

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Chlorine binding site 7 out of 9 in the Crystal Structure of Abc Transporter Solute Binding Protein MSMEG_3598 From Mycobacterium Smegmatis Str. MC2 155, Target Efi-510969, in Complex with L-Sorbitol


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 Abc Transporter Solute Binding Protein MSMEG_3598 From Mycobacterium Smegmatis Str. MC2 155, Target Efi-510969, in Complex with L-Sorbitol within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl422

b:11.3
occ:1.00
ZN A:ZN413 2.2 9.6 1.0
NZ A:LYS198 3.2 15.5 0.5
CE A:LYS198 3.3 13.5 0.5
OD1 A:ASN72 3.3 30.1 1.0
OD2 A:ASP43 3.3 9.3 1.0
O A:HOH509 3.4 29.9 1.0
N1 A:IMD426 3.5 8.7 1.0
OD1 A:ASN73 3.6 12.8 1.0
NZ A:LYS198 3.6 13.6 0.5
CE A:LYS198 3.6 11.8 0.5
O A:HOH569 3.7 22.2 1.0
C2 A:IMD426 3.7 10.8 1.0
CD A:LYS198 4.0 10.3 0.5
CD A:LYS198 4.1 13.1 0.5
O A:HOH761 4.2 25.2 1.0
CG A:ASP43 4.2 8.4 1.0
OD1 A:ASP43 4.3 10.1 1.0
CG A:ASN72 4.5 27.1 1.0
CG A:LYS198 4.7 9.3 0.5
CG A:LYS198 4.7 10.6 0.5
C5 A:IMD426 4.8 9.5 1.0
CG A:ASN73 4.9 9.8 1.0
ND2 A:ASN72 4.9 22.2 1.0

Chlorine binding site 8 out of 9 in 5hko

Go back to Chlorine Binding Sites List in 5hko
Chlorine binding site 8 out of 9 in the Crystal Structure of Abc Transporter Solute Binding Protein MSMEG_3598 From Mycobacterium Smegmatis Str. MC2 155, Target Efi-510969, in Complex with L-Sorbitol


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 Abc Transporter Solute Binding Protein MSMEG_3598 From Mycobacterium Smegmatis Str. MC2 155, Target Efi-510969, in Complex with L-Sorbitol within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl423

b:16.4
occ:1.00
CL A:CL424 2.3 15.2 1.0
ZN A:ZN414 2.3 19.7 1.0
N1 A:IMD428 3.6 19.0 1.0
O A:HOH753 3.9 12.7 1.0
C5 A:IMD428 4.1 16.8 1.0
C2 A:IMD428 4.7 16.8 1.0

Chlorine binding site 9 out of 9 in 5hko

Go back to Chlorine Binding Sites List in 5hko
Chlorine binding site 9 out of 9 in the Crystal Structure of Abc Transporter Solute Binding Protein MSMEG_3598 From Mycobacterium Smegmatis Str. MC2 155, Target Efi-510969, in Complex with L-Sorbitol


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 Abc Transporter Solute Binding Protein MSMEG_3598 From Mycobacterium Smegmatis Str. MC2 155, Target Efi-510969, in Complex with L-Sorbitol within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl424

b:15.2
occ:1.00
ZN A:ZN414 1.8 19.7 1.0
N1 A:IMD428 2.1 19.0 1.0
C5 A:IMD428 2.2 16.8 1.0
CL A:CL423 2.3 16.4 1.0
C2 A:IMD428 3.5 16.8 1.0
C4 A:IMD428 3.5 15.7 1.0
OE1 A:GLN143 4.0 9.0 1.0
O A:HOH753 4.1 12.7 1.0
N3 A:IMD428 4.1 17.7 1.0
O A:HOH609 4.5 14.6 1.0
CD A:GLN143 5.0 7.5 1.0

Reference:

Y.Roth, M.W.Vetting, N.F.Al Obaidi, R.Toro, L.L.Morisco, J.Benach, J.Koss, S.R.Wasserman, J.A.Gerlt, S.C.Almo, Enzyme Function Initiative (Efi). Crystal Structure of Abc Transporter Solute Binding Protein MSMEG_3598 From Mycobacterium Smegmatis Str. MC2 155, Target Efi-510969, in Complex with L-Sorbitol To Be Published.
Page generated: Sat Dec 12 11:48:46 2020

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