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Zinc 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:

Chlorine (Cl) 9 atoms

Zinc Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 15;

Binding sites:

The binding sites of Zinc 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 Zinc atom.
In total 15 binding sites of Zinc 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 Zinc binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Zinc binding site 1 out of 15 in 5hko

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Zinc binding site 1 out of 15 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 Zinc with other atoms in the Zn 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:Zn401

b:12.3
occ:1.00
 OE2 A:GLU50 1.9 11.0 1.0
OE1 A:GLU252 1.9 12.9 1.0
CL A:CL417 2.2 13.2 1.0
CL A:CL416 2.3 12.3 1.0
CD A:GLU50 2.9 12.3 1.0
CD A:GLU252 3.0 14.2 1.0
CG A:GLU50 3.3 9.8 1.0
CG A:GLU252 3.5 13.9 1.0
CB A:GLU252 3.8 10.6 1.0
N A:GLU252 4.0 8.6 1.0
OE1 A:GLU50 4.1 13.5 1.0
OE2 A:GLU252 4.1 16.0 1.0
CA A:GLU252 4.5 9.6 1.0
CB A:ILE251 4.5 8.5 1.0
C5 A:IMD427 4.5 18.2 1.0
CB A:SER46 4.5 8.1 1.0
O A:SER46 4.6 8.4 1.0
N1 A:IMD427 4.7 22.1 1.0
CB A:GLU50 4.7 9.4 1.0
OG A:SER46 4.9 9.4 1.0
C A:ILE251 5.0 8.2 1.0

Zinc binding site 2 out of 15 in 5hko

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Zinc binding site 2 out of 15 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 Zinc with other atoms in the Zn 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:Zn402

b:10.2
occ:1.00
 OD2 A:ASP128 1.9 18.8 1.0
O A:ACT431 2.0 11.2 1.0
CL A:CL421 2.3 11.3 1.0
CG A:ASP128 2.5 17.4 1.0
OD1 A:ASP128 2.7 20.6 1.0
C A:ACT431 3.0 10.0 1.0
CH3 A:ACT431 3.3 10.7 1.0
OXT A:ACT431 4.1 12.5 1.0
CB A:ASP128 4.1 14.3 1.0
NZ A:LYS111 4.1 25.5 1.0
CE A:LYS111 4.4 22.9 1.0
O A:HOH773 4.4 16.2 1.0
CD A:LYS111 4.4 18.7 1.0

Zinc binding site 3 out of 15 in 5hko

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Zinc binding site 3 out of 15 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 Zinc with other atoms in the Zn 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:Zn403

b:17.0
occ:0.98
 OE2 A:GLU53 1.9 16.2 1.0
N3 A:IMD427 2.0 16.6 1.0
O A:ACT432 2.2 13.8 1.0
OXT A:ACT432 2.2 14.7 1.0
O A:HOH663 2.2 12.8 1.0
C A:ACT432 2.4 13.6 1.0
CD A:GLU53 2.8 16.8 1.0
OE1 A:GLU53 2.9 15.7 1.0
C2 A:IMD427 2.9 18.4 1.0
C4 A:IMD427 3.0 20.1 1.0
CH3 A:ACT432 3.7 16.9 1.0
C5 A:IMD427 4.1 18.2 1.0
NE A:ARG318 4.1 13.3 1.0
N1 A:IMD427 4.1 22.1 1.0
CG A:GLU53 4.2 14.4 1.0
CD A:ARG318 4.7 15.4 1.0

Zinc binding site 4 out of 15 in 5hko

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Zinc binding site 4 out of 15 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 Zinc with other atoms in the Zn 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:Zn404

b:20.8
occ:0.89
 OD2 A:ASP218 1.9 11.8 1.0
O A:HOH735 2.1 25.7 1.0
OXT A:ACT433 2.2 33.0 1.0
O A:HOH736 2.2 17.2 1.0
CG A:ASP218 2.8 11.7 1.0
C A:ACT433 2.9 34.1 1.0
OD1 A:ASP218 2.9 14.1 1.0
O A:ACT433 3.0 27.1 1.0
ND2 A:ASN157 3.9 14.8 1.0
CH3 A:ACT433 4.0 25.2 1.0
CA A:GLY156 4.1 10.6 1.0
CB A:ASP218 4.2 10.1 1.0
O A:HOH657 4.2 24.5 1.0
N A:ASN157 4.2 9.7 1.0
O A:GLN216 4.5 12.9 1.0
CG A:ASN157 4.6 13.1 1.0
C A:GLY156 4.7 10.3 1.0
NZ A:LYS155 4.7 36.3 1.0

Zinc binding site 5 out of 15 in 5hko

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Zinc binding site 5 out of 15 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 Zinc with other atoms in the Zn 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:Zn405

b:20.4
occ:0.90
 O A:HOH750 2.0 16.0 1.0
OD2 A:ASP136 2.1 12.8 1.0
O A:HOH741 2.3 29.9 1.0
OD1 A:ASP136 2.9 9.0 1.0
CG A:ASP136 2.9 9.0 1.0
CB A:ALA139 4.3 8.5 1.0
CB A:ASP136 4.3 8.6 1.0
N A:ALA139 4.4 6.8 1.0
CB A:VAL138 4.6 7.5 1.0
CA A:ALA139 4.8 6.9 1.0

Zinc binding site 6 out of 15 in 5hko

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Zinc binding site 6 out of 15 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 Zinc with other atoms in the Zn 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:Zn406

b:25.6
occ:0.90
 O A:HOH713 1.6 27.6 1.0
N1 A:IMD429 2.1 25.1 1.0
OE2 A:GLU237 2.3 34.2 1.0
N1 A:IMD430 2.3 26.7 1.0
OE1 A:GLU237 2.5 32.6 1.0
CD A:GLU237 2.6 31.8 1.0
C5 A:IMD430 2.9 34.7 1.0
C5 A:IMD429 3.0 35.1 1.0
C2 A:IMD429 3.1 32.6 1.0
C2 A:IMD430 3.6 27.0 1.0
CG A:GLU237 4.1 26.1 1.0
N3 A:IMD429 4.2 32.3 1.0
C4 A:IMD429 4.2 32.7 1.0
C4 A:IMD430 4.2 34.9 1.0
CE A:LYS207 4.2 20.9 1.0
NE2 A:GLN233 4.3 27.6 1.0
NZ A:LYS207 4.4 25.9 1.0
N3 A:IMD430 4.5 36.8 1.0
O A:HOH695 4.9 35.8 1.0

Zinc binding site 7 out of 15 in 5hko

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Zinc binding site 7 out of 15 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 Zinc with other atoms in the Zn 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:Zn407

b:27.5
occ:0.88
 OD2 A:ASP337 1.8 21.3 1.0
O A:HOH659 2.1 17.7 1.0
CG A:ASP337 2.4 21.7 1.0
OD1 A:ASP337 2.5 19.6 1.0
OG1 A:THR347 3.6 28.7 1.0
CB A:ASP337 3.8 18.1 1.0
CB A:THR347 4.0 28.5 1.0
O A:HOH554 4.2 25.7 1.0
N A:THR347 4.3 23.2 1.0
O A:HOH574 4.3 12.4 1.0
CA A:ASP337 4.8 15.7 1.0
CA A:THR347 4.8 29.2 1.0
O A:HOH629 4.9 10.6 1.0
CB A:TYR340 4.9 12.6 1.0

Zinc binding site 8 out of 15 in 5hko

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Zinc binding site 8 out of 15 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 Zinc with other atoms in the Zn 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:Zn408

b:11.7
occ:1.00
 OD2 A:ASP56 2.0 11.9 1.0
CL A:CL419 2.2 16.0 1.0
CL A:CL418 2.2 13.3 1.0
CG A:ASP56 3.0 11.3 1.0
CB A:ASP56 3.2 10.2 1.0
NZ A:LYS52 3.7 16.4 1.0
OD1 A:ASP56 4.1 12.9 1.0
O A:HOH605 4.6 20.3 1.0
CA A:ASP56 4.8 10.3 1.0
CE A:LYS52 4.9 13.3 1.0
O A:LYS52 5.0 9.7 1.0
CG A:LYS52 5.0 10.1 1.0

Zinc binding site 9 out of 15 in 5hko

Go back to Zinc Binding Sites List in 5hko
Zinc binding site 9 out of 15 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 Zinc with other atoms in the Zn 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:Zn409

b:24.2
occ:0.54
 O A:HOH503 1.9 34.0 1.0
OG A:SER76 2.1 21.4 1.0
OD2 A:ASP74 2.2 21.7 1.0
O A:HOH690 2.5 23.7 1.0
OD1 A:ASP74 2.5 27.7 1.0
CG A:ASP74 2.7 23.8 1.0
CB A:SER76 3.2 16.5 1.0
N A:SER76 4.0 13.8 1.0
CA A:SER76 4.1 14.0 1.0
CB A:ASP74 4.2 16.5 1.0
N A:THR77 4.5 12.7 1.0
O A:HOH691 4.7 28.1 1.0
C A:SER76 4.8 12.1 1.0
OG1 A:THR77 4.8 16.8 1.0
CA A:ASP74 5.0 15.2 1.0
N A:VAL75 5.0 13.5 1.0

Zinc binding site 10 out of 15 in 5hko

Go back to Zinc Binding Sites List in 5hko
Zinc binding site 10 out of 15 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 Zinc with other atoms in the Zn binding site number 10 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:Zn410

b:38.4
occ:0.92
 OD1 A:ASP200 1.9 20.2 1.0
CG A:ASP200 3.0 19.1 1.0
O A:HOH762 3.2 33.4 1.0
OD2 A:ASP200 3.3 21.9 1.0
CB A:ASP200 4.4 16.4 1.0
CG2 A:VAL203 4.7 10.7 1.0
O A:HOH677 4.8 17.6 1.0
CA A:ASP200 4.8 13.1 1.0
CB A:ARG199 4.9 11.3 1.0
N A:ASP200 5.0 11.6 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: Sun Oct 27 17:29:01 2024

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