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Calcium in PDB 9my7: Structure of the Base Mutant V336G, An Nrps Adenylation Domain in the Acinetobactin Biosynthetic Pathway Bound to 4-Amino Salicylic Acid

Enzymatic activity of Structure of the Base Mutant V336G, An Nrps Adenylation Domain in the Acinetobactin Biosynthetic Pathway Bound to 4-Amino Salicylic Acid

All present enzymatic activity of Structure of the Base Mutant V336G, An Nrps Adenylation Domain in the Acinetobactin Biosynthetic Pathway Bound to 4-Amino Salicylic Acid:
2.7.7.58;

Protein crystallography data

The structure of Structure of the Base Mutant V336G, An Nrps Adenylation Domain in the Acinetobactin Biosynthetic Pathway Bound to 4-Amino Salicylic Acid, PDB code: 9my7 was solved by S.F.Ahmed, A.M.Gulick, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 66.17 / 2.53
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 65.294, 143.346, 149.199, 90, 90, 90
R / Rfree (%) 21.4 / 26.3

Calcium Binding Sites:

The binding sites of Calcium atom in the Structure of the Base Mutant V336G, An Nrps Adenylation Domain in the Acinetobactin Biosynthetic Pathway Bound to 4-Amino Salicylic Acid (pdb code 9my7). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 9 binding sites of Calcium where determined in the Structure of the Base Mutant V336G, An Nrps Adenylation Domain in the Acinetobactin Biosynthetic Pathway Bound to 4-Amino Salicylic Acid, PDB code: 9my7:
Jump to Calcium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9;

Calcium binding site 1 out of 9 in 9my7

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Calcium binding site 1 out of 9 in the Structure of the Base Mutant V336G, An Nrps Adenylation Domain in the Acinetobactin Biosynthetic Pathway Bound to 4-Amino Salicylic Acid


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Structure of the Base Mutant V336G, An Nrps Adenylation Domain in the Acinetobactin Biosynthetic Pathway Bound to 4-Amino Salicylic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca603

b:86.6
occ:1.00
 O B:HOH716 2.4 71.3 1.0
O B:HOH783 2.6 68.8 1.0
O B:HOH707 2.9 67.8 1.0
O B:HOH733 3.3 51.6 1.0
O B:SER418 3.3 61.0 1.0
O B:GLY198 3.7 74.8 1.0
O B:HOH708 4.0 65.9 1.0
O B:HOH759 4.1 58.0 1.0
OD2 B:ASP420 4.2 83.6 1.0
C B:SER418 4.4 66.7 1.0
OE1 B:GLU341 4.6 54.8 1.0
OH B:TYR416 4.6 59.9 1.0
CA B:SER418 4.8 62.1 1.0
CB B:SER418 4.8 62.4 1.0
C B:GLY198 4.9 69.5 1.0
O B:HOH785 4.9 58.8 1.0

Calcium binding site 2 out of 9 in 9my7

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Calcium binding site 2 out of 9 in the Structure of the Base Mutant V336G, An Nrps Adenylation Domain in the Acinetobactin Biosynthetic Pathway Bound to 4-Amino Salicylic Acid


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Structure of the Base Mutant V336G, An Nrps Adenylation Domain in the Acinetobactin Biosynthetic Pathway Bound to 4-Amino Salicylic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca604

b:64.3
occ:1.00
 O B:ASN330 2.3 60.3 1.0
O B:GLN305 2.4 60.8 1.0
O B:LEU307 2.4 66.8 1.0
O B:HOH701 2.5 60.0 1.0
C B:ASN330 3.5 64.2 1.0
C B:GLN305 3.5 66.0 1.0
C B:LEU307 3.6 59.8 1.0
CB B:ASN330 4.0 65.2 1.0
N B:LEU307 4.1 54.6 1.0
CA B:GLN305 4.3 66.1 1.0
CA B:LEU307 4.3 54.3 1.0
OE1 B:GLN305 4.3 75.4 1.0
C B:SER306 4.3 60.3 1.0
CA B:ASN330 4.4 67.5 1.0
O B:ILE304 4.4 62.0 1.0
N B:CYS331 4.4 62.5 1.0
CA B:CYS331 4.5 60.2 1.0
CB B:CYS331 4.5 58.1 1.0
N B:SER306 4.5 63.8 1.0
O B:LEU329 4.6 63.8 1.0
N B:LYS308 4.6 58.0 1.0
CB B:LEU307 4.7 55.8 1.0
CA B:SER306 4.8 62.7 1.0
O B:SER306 4.8 61.7 1.0
CA B:LYS308 4.9 59.5 1.0

Calcium binding site 3 out of 9 in 9my7

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Calcium binding site 3 out of 9 in the Structure of the Base Mutant V336G, An Nrps Adenylation Domain in the Acinetobactin Biosynthetic Pathway Bound to 4-Amino Salicylic Acid


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Structure of the Base Mutant V336G, An Nrps Adenylation Domain in the Acinetobactin Biosynthetic Pathway Bound to 4-Amino Salicylic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca605

b:102.6
occ:1.00
 O B:GLU327 2.4 64.7 1.0
O B:HOH767 3.0 67.4 1.0
C B:GLU327 3.6 61.2 1.0
OD1 B:ASN330 3.7 66.2 1.0
CA B:GLU327 4.1 61.5 1.0
N B:VAL328 4.6 59.5 1.0
CB B:GLU327 4.8 60.7 1.0
CG B:ASN330 4.8 66.4 1.0
CA B:VAL328 4.9 60.4 1.0
O B:PRO326 5.0 65.0 1.0

Calcium binding site 4 out of 9 in 9my7

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Calcium binding site 4 out of 9 in the Structure of the Base Mutant V336G, An Nrps Adenylation Domain in the Acinetobactin Biosynthetic Pathway Bound to 4-Amino Salicylic Acid


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Structure of the Base Mutant V336G, An Nrps Adenylation Domain in the Acinetobactin Biosynthetic Pathway Bound to 4-Amino Salicylic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca606

b:82.1
occ:1.00
 O B:GLN53 2.5 76.2 1.0
OE2 B:GLU58 2.6 92.4 1.0
OE1 B:GLU58 2.7 72.9 1.0
O B:HOH776 2.7 84.0 1.0
CD B:GLU58 3.0 79.1 1.0
C B:GLN53 3.6 70.7 1.0
N B:GLN53 4.4 69.2 1.0
CG B:GLU58 4.5 70.0 1.0
CA B:GLN53 4.5 69.1 1.0
N B:LEU54 4.6 65.8 1.0
CB B:GLN53 4.6 69.5 1.0
CA B:LEU54 4.7 63.7 1.0

Calcium binding site 5 out of 9 in 9my7

Go back to Calcium Binding Sites List in 9my7
Calcium binding site 5 out of 9 in the Structure of the Base Mutant V336G, An Nrps Adenylation Domain in the Acinetobactin Biosynthetic Pathway Bound to 4-Amino Salicylic Acid


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 of Structure of the Base Mutant V336G, An Nrps Adenylation Domain in the Acinetobactin Biosynthetic Pathway Bound to 4-Amino Salicylic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca607

b:90.5
occ:1.00
 O B:HOH781 3.7 63.0 1.0
O B:HOH777 3.8 68.1 1.0
O B:HIS255 4.1 58.0 1.0
O B:ALA256 4.3 58.1 1.0
CA B:ALA256 4.4 55.0 1.0
C B:ALA256 4.4 57.4 1.0

Calcium binding site 6 out of 9 in 9my7

Go back to Calcium Binding Sites List in 9my7
Calcium binding site 6 out of 9 in the Structure of the Base Mutant V336G, An Nrps Adenylation Domain in the Acinetobactin Biosynthetic Pathway Bound to 4-Amino Salicylic Acid


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 6 of Structure of the Base Mutant V336G, An Nrps Adenylation Domain in the Acinetobactin Biosynthetic Pathway Bound to 4-Amino Salicylic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca604

b:77.4
occ:1.00
 O A:HOH755 2.4 64.3 1.0
O A:HOH713 2.6 54.6 1.0
O A:HOH741 2.7 65.1 1.0
O A:HOH760 3.0 60.7 1.0
O A:SER418 3.1 63.5 1.0
O A:HOH727 3.3 60.5 1.0
O A:HOH726 3.8 58.6 1.0
C A:SER418 4.2 65.3 1.0
OD1 A:ASP420 4.3 80.4 1.0
OH A:TYR416 4.5 60.8 1.0
CB A:SER418 4.6 68.7 1.0
CA A:SER418 4.6 63.9 1.0
CA A:GLY199 4.7 78.3 1.0
N A:GLY199 4.7 70.1 1.0
OE1 A:GLU341 4.8 56.6 1.0
CG A:ASP420 5.0 77.2 1.0

Calcium binding site 7 out of 9 in 9my7

Go back to Calcium Binding Sites List in 9my7
Calcium binding site 7 out of 9 in the Structure of the Base Mutant V336G, An Nrps Adenylation Domain in the Acinetobactin Biosynthetic Pathway Bound to 4-Amino Salicylic Acid


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 7 of Structure of the Base Mutant V336G, An Nrps Adenylation Domain in the Acinetobactin Biosynthetic Pathway Bound to 4-Amino Salicylic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca605

b:103.6
occ:1.00
 O A:HOH731 2.7 81.0 1.0
O A:GLN53 2.7 94.4 1.0
O A:HOH707 2.7 83.5 1.0
C A:GLN53 3.8 87.9 1.0
OE2 A:GLU58 3.8 102.8 1.0
CB A:GLN53 4.0 87.5 1.0
OE1 A:GLU58 4.2 97.0 1.0
CA A:GLN53 4.2 87.0 1.0
N A:GLN53 4.3 91.0 1.0
CD A:GLU58 4.4 101.3 1.0
CG A:GLN53 4.9 88.9 1.0
N A:LEU54 4.9 85.4 1.0

Calcium binding site 8 out of 9 in 9my7

Go back to Calcium Binding Sites List in 9my7
Calcium binding site 8 out of 9 in the Structure of the Base Mutant V336G, An Nrps Adenylation Domain in the Acinetobactin Biosynthetic Pathway Bound to 4-Amino Salicylic Acid


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 8 of Structure of the Base Mutant V336G, An Nrps Adenylation Domain in the Acinetobactin Biosynthetic Pathway Bound to 4-Amino Salicylic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca606

b:74.8
occ:1.00
 O A:HOH714 2.3 80.5 1.0
O A:LEU307 2.3 83.4 1.0
O A:GLN305 2.4 81.6 1.0
O A:HOH759 2.6 73.5 1.0
O A:ASN330 2.6 80.0 1.0
O A:HOH708 2.7 70.0 1.0
C A:GLN305 3.5 81.6 1.0
C A:LEU307 3.5 77.2 1.0
C A:ASN330 3.8 82.1 1.0
N A:LEU307 4.1 77.5 1.0
CA A:GLN305 4.2 83.4 1.0
CA A:LEU307 4.3 77.8 1.0
C A:SER306 4.4 76.0 1.0
CB A:ASN330 4.4 84.3 1.0
N A:LYS308 4.5 73.8 1.0
O A:ILE304 4.5 81.3 1.0
N A:SER306 4.5 80.2 1.0
CB A:CYS331 4.6 77.3 1.0
CA A:CYS331 4.7 78.2 1.0
CA A:LYS308 4.7 75.1 1.0
N A:CYS331 4.7 79.9 1.0
CA A:ASN330 4.8 82.7 1.0
CA A:SER306 4.8 78.8 1.0
O A:SER306 4.8 79.5 1.0
O A:LEU329 4.8 87.2 1.0
CB A:LEU307 4.9 76.3 1.0

Calcium binding site 9 out of 9 in 9my7

Go back to Calcium Binding Sites List in 9my7
Calcium binding site 9 out of 9 in the Structure of the Base Mutant V336G, An Nrps Adenylation Domain in the Acinetobactin Biosynthetic Pathway Bound to 4-Amino Salicylic Acid


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 9 of Structure of the Base Mutant V336G, An Nrps Adenylation Domain in the Acinetobactin Biosynthetic Pathway Bound to 4-Amino Salicylic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca607

b:112.5
occ:1.00
 O A:GLY74 2.5 87.5 1.0
O A:HOH743 2.8 85.2 1.0
C A:GLY74 3.5 82.4 1.0
CA A:GLY74 4.0 76.7 1.0
OD2 A:ASP79 4.1 84.5 1.0
O A:HOH737 4.7 74.6 1.0
N A:LEU75 4.7 79.1 1.0
CG A:ASP79 5.0 82.3 1.0

Reference:

S.F.Ahmed, A.M.Gulick. Structure of the Base Mutant V336G, An Nrps Adenylation Domain in the Acinetobactin Biosynthetic Pathway Bound to 4-Amino Salicylic Acid To Be Published.
Page generated: Thu Jul 10 10:18:48 2025

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