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Zinc in PDB 5g01: An Unusual Natural Product Primary Sulfonamide: Synthesis, Carbonic Anhydrase Inhibition and Protein X-Ray Structure of Psammaplin C

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

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

Protein crystallography data

The structure of An Unusual Natural Product Primary Sulfonamide: Synthesis, Carbonic Anhydrase Inhibition and Protein X-Ray Structure of Psammaplin C, PDB code: 5g01 was solved by P.Mujumdar, C.T.Supuran, T.S.Peat, S.A.Poulsen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 69.49 / 1.40
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 42.159, 41.494, 71.699, 90.00, 104.26, 90.00
R / Rfree (%) 12.8 / 16.5

Other elements in 5g01:

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

Bromine (Br) 2 atoms
Sodium (Na) 1 atom

Zinc Binding Sites:

The binding sites of Zinc atom in the An Unusual Natural Product Primary Sulfonamide: Synthesis, Carbonic Anhydrase Inhibition and Protein X-Ray Structure of Psammaplin C (pdb code 5g01). 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 An Unusual Natural Product Primary Sulfonamide: Synthesis, Carbonic Anhydrase Inhibition and Protein X-Ray Structure of Psammaplin C, PDB code: 5g01:

Zinc binding site 1 out of 1 in 5g01

Go back to Zinc Binding Sites List in 5g01
Zinc binding site 1 out of 1 in the An Unusual Natural Product Primary Sulfonamide: Synthesis, Carbonic Anhydrase Inhibition and Protein X-Ray Structure of Psammaplin C


Mono view


Stereo pair view

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

b:8.8
occ:1.00
 N8 A:OE21264 2.0 9.3 0.8
NE2 A:HIS96 2.1 7.8 1.0
NE2 A:HIS94 2.1 9.4 1.0
ND1 A:HIS119 2.1 7.4 1.0
CE1 A:HIS119 3.0 7.1 1.0
O9 A:OE21264 3.0 13.8 0.8
CD2 A:HIS94 3.0 9.8 1.0
CE1 A:HIS96 3.0 8.5 1.0
S6 A:OE21264 3.0 11.9 0.8
CD2 A:HIS96 3.1 8.6 1.0
CE1 A:HIS94 3.1 11.1 1.0
CG A:HIS119 3.2 6.9 1.0
CB A:HIS119 3.6 6.9 1.0
OG1 A:THR199 3.9 8.6 1.0
OE1 A:GLU106 4.0 9.1 1.0
N3 A:OE21264 4.0 13.5 0.8
O7 A:OE21264 4.1 10.4 0.8
ND1 A:HIS96 4.1 8.8 1.0
NE2 A:HIS119 4.1 7.5 1.0
ND1 A:HIS94 4.2 11.0 1.0
CG A:HIS94 4.2 10.0 1.0
C5 A:OE21264 4.2 14.1 0.8
CG A:HIS96 4.2 8.3 1.0
CD2 A:HIS119 4.3 7.0 1.0
N20 A:OE21264 4.3 14.8 0.8
C2 A:OE21264 4.4 14.1 0.8
C4 A:OE21264 4.6 15.0 0.8
C10 A:OE21264 4.7 14.9 0.8
CD A:GLU106 4.9 7.6 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 16:48:54 2024

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