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Zinc in PDB 5a6h: Synthesis, Carbonic Anhydrase Inhibition and Protein X-Ray Structure of the Unusual Natural Product Primary Sulfonamide Psammaplin C

Enzymatic activity of Synthesis, Carbonic Anhydrase Inhibition and Protein X-Ray Structure of the Unusual Natural Product Primary Sulfonamide Psammaplin C

All present enzymatic activity of Synthesis, Carbonic Anhydrase Inhibition and Protein X-Ray Structure of the Unusual Natural Product Primary Sulfonamide Psammaplin C:
4.2.1.1;

Protein crystallography data

The structure of Synthesis, Carbonic Anhydrase Inhibition and Protein X-Ray Structure of the Unusual Natural Product Primary Sulfonamide Psammaplin C, PDB code: 5a6h was solved by P.Mujumdar, C.T.Supuran, T.S.Peat, S.Poulsen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 70.10 / 1.57
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 42.300, 41.385, 72.460, 90.00, 104.66, 90.00
R / Rfree (%) 14.5 / 19.3

Other elements in 5a6h:

The structure of Synthesis, Carbonic Anhydrase Inhibition and Protein X-Ray Structure of the Unusual Natural Product Primary Sulfonamide Psammaplin C also contains other interesting chemical elements:

Bromine (Br) 3 atoms

Zinc Binding Sites:

The binding sites of Zinc atom in the Synthesis, Carbonic Anhydrase Inhibition and Protein X-Ray Structure of the Unusual Natural Product Primary Sulfonamide Psammaplin C (pdb code 5a6h). 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 Synthesis, Carbonic Anhydrase Inhibition and Protein X-Ray Structure of the Unusual Natural Product Primary Sulfonamide Psammaplin C, PDB code: 5a6h:

Zinc binding site 1 out of 1 in 5a6h

Go back to Zinc Binding Sites List in 5a6h
Zinc binding site 1 out of 1 in the Synthesis, Carbonic Anhydrase Inhibition and Protein X-Ray Structure of the Unusual Natural Product Primary Sulfonamide Psammaplin C


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Synthesis, Carbonic Anhydrase Inhibition and Protein X-Ray Structure of the Unusual Natural Product Primary Sulfonamide Psammaplin C within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn1262

b:5.7
occ:0.90
N8 A:OE21264 1.9 6.0 0.9
NE2 A:HIS94 2.0 8.1 1.0
NE2 A:HIS96 2.1 6.1 1.0
ND1 A:HIS119 2.1 6.1 1.0
CE1 A:HIS119 2.9 5.6 1.0
CD2 A:HIS94 3.0 7.8 1.0
CD2 A:HIS96 3.0 6.3 1.0
CE1 A:HIS94 3.0 7.8 1.0
CE1 A:HIS96 3.1 7.1 1.0
S6 A:OE21264 3.1 7.5 0.9
O7 A:OE21264 3.1 6.6 0.9
CG A:HIS119 3.2 5.6 1.0
CB A:HIS119 3.6 5.6 1.0
OG1 A:THR199 3.9 6.0 1.0
OE1 A:GLU106 4.0 7.0 1.0
O9 A:OE21264 4.1 7.7 0.9
NE2 A:HIS119 4.1 5.5 1.0
ND1 A:HIS94 4.1 7.4 1.0
ND1 A:HIS96 4.1 7.4 1.0
CG A:HIS94 4.1 7.1 1.0
CG A:HIS96 4.2 6.5 1.0
CD2 A:HIS119 4.2 5.6 1.0
C5 A:OE21264 4.3 10.4 0.9
C4 A:OE21264 4.4 12.7 0.9
CD A:GLU106 4.9 7.5 1.0

Reference:

P.Mujumdar, K.Teruya, K.F.Tonissen, D.Vullo, C.T.Supuran, T.S.Peat, S.Poulsen. An Unusual Natural Product Primary Sulfonamide: Synthesis, Carbonic Anhydrase Inhibition and Protein X-Ray Structures of Psammaplin C. J.Med.Chem. V. 59 5462 2016.
ISSN: ISSN 0022-2623
PubMed: 27172398
DOI: 10.1021/ACS.JMEDCHEM.6B00443
Page generated: Sun Oct 27 12:40:32 2024

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