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Zinc in PDB 3ml5: Crystal Structure of the C183S/C217S Mutant of Human Ca VII in Complex with Acetazolamide

Enzymatic activity of Crystal Structure of the C183S/C217S Mutant of Human Ca VII in Complex with Acetazolamide

All present enzymatic activity of Crystal Structure of the C183S/C217S Mutant of Human Ca VII in Complex with Acetazolamide:
4.2.1.1;

Protein crystallography data

The structure of Crystal Structure of the C183S/C217S Mutant of Human Ca VII in Complex with Acetazolamide, PDB code: 3ml5 was solved by A.Di Fiore, E.Truppo, C.T.Supuran, V.Alterio, N.Dathan, F.Bootorabi, S.Parkkila, S.M.Monti, G.De Simone, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 2.05
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 43.780, 66.280, 46.460, 90.00, 113.84, 90.00
R / Rfree (%) 16.6 / 20.7

Zinc Binding Sites:

The binding sites of Zinc atom in the Crystal Structure of the C183S/C217S Mutant of Human Ca VII in Complex with Acetazolamide (pdb code 3ml5). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total only one binding site of Zinc was determined in the Crystal Structure of the C183S/C217S Mutant of Human Ca VII in Complex with Acetazolamide, PDB code: 3ml5:

Zinc binding site 1 out of 1 in 3ml5

Go back to Zinc Binding Sites List in 3ml5
Zinc binding site 1 out of 1 in the Crystal Structure of the C183S/C217S Mutant of Human Ca VII in Complex with Acetazolamide


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 the C183S/C217S Mutant of Human Ca VII in Complex with Acetazolamide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn263

b:6.7
occ:1.00
 N1 A:AZM264 2.0 6.6 1.0
NE2 A:HIS96 2.0 3.8 1.0
NE2 A:HIS94 2.1 4.1 1.0
ND1 A:HIS119 2.1 2.9 1.0
CD2 A:HIS94 2.9 5.1 1.0
CD2 A:HIS96 2.9 1.2 1.0
CE1 A:HIS119 2.9 7.4 1.0
O2 A:AZM264 3.1 8.8 1.0
CE1 A:HIS96 3.1 4.2 1.0
S1 A:AZM264 3.1 8.9 1.0
CG A:HIS119 3.1 6.6 1.0
CE1 A:HIS94 3.1 5.0 1.0
CB A:HIS119 3.5 4.8 1.0
OG1 A:THR199 3.9 4.5 1.0
O A:HOH523 4.0 27.1 1.0
OE1 A:GLU106 4.0 8.1 1.0
CG A:HIS94 4.1 4.9 1.0
O1 A:AZM264 4.1 8.0 1.0
NE2 A:HIS119 4.1 7.2 1.0
CG A:HIS96 4.1 4.1 1.0
ND1 A:HIS96 4.2 1.9 1.0
ND1 A:HIS94 4.2 4.7 1.0
CD2 A:HIS119 4.2 5.5 1.0
C1 A:AZM264 4.3 9.7 1.0
CD A:GLU106 4.9 8.5 1.0
N3 A:AZM264 5.0 9.7 1.0
CA A:HIS119 5.0 4.5 1.0

Reference:

A.Di Fiore, E.Truppo, C.T.Supuran, V.Alterio, N.Dathan, F.Bootorabi, S.Parkkila, S.M.Monti, G.De Simone. Crystal Structure of the C183S/C217S Mutant of Human Ca VII in Complex with Acetazolamide Bioorg.Med.Chem.Lett. V. 20 5023 2010.
ISSN: ISSN 0960-894X
PubMed: 20688517
DOI: 10.1016/J.BMCL.2010.07.051
Page generated: Sat Oct 26 09:36:06 2024

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