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Chlorine in PDB 3eft: Crystal Structure of the Complex Between Carbonic Anhydrase II and A Spin-Labeled Sulfonamide Incorporating Tempo Moiety

Enzymatic activity of Crystal Structure of the Complex Between Carbonic Anhydrase II and A Spin-Labeled Sulfonamide Incorporating Tempo Moiety

All present enzymatic activity of Crystal Structure of the Complex Between Carbonic Anhydrase II and A Spin-Labeled Sulfonamide Incorporating Tempo Moiety:
4.2.1.1;

Protein crystallography data

The structure of Crystal Structure of the Complex Between Carbonic Anhydrase II and A Spin-Labeled Sulfonamide Incorporating Tempo Moiety, PDB code: 3eft was solved by C.Temperini, A.Cecchi, A.Scozzafava, C.T.Supuran, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 11.81 / 1.85
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 42.130, 41.500, 72.310, 90.00, 104.30, 90.00
R / Rfree (%) 19.2 / 24

Other elements in 3eft:

The structure of Crystal Structure of the Complex Between Carbonic Anhydrase II and A Spin-Labeled Sulfonamide Incorporating Tempo Moiety also contains other interesting chemical elements:

Mercury (Hg) 1 atom
Zinc (Zn) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of the Complex Between Carbonic Anhydrase II and A Spin-Labeled Sulfonamide Incorporating Tempo Moiety (pdb code 3eft). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Crystal Structure of the Complex Between Carbonic Anhydrase II and A Spin-Labeled Sulfonamide Incorporating Tempo Moiety, PDB code: 3eft:

Chlorine binding site 1 out of 1 in 3eft

Go back to Chlorine Binding Sites List in 3eft
Chlorine binding site 1 out of 1 in the Crystal Structure of the Complex Between Carbonic Anhydrase II and A Spin-Labeled Sulfonamide Incorporating Tempo Moiety


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of the Complex Between Carbonic Anhydrase II and A Spin-Labeled Sulfonamide Incorporating Tempo Moiety within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl300

b:34.9
occ:1.00
 CLAG A:3BS300 0.0 34.9 1.0
CAF A:3BS300 1.7 33.9 1.0
CAE A:3BS300 2.7 32.7 1.0
CAL A:3BS300 2.7 35.0 1.0
NAM A:3BS300 2.9 37.0 1.0
O A:HOH448 3.3 28.0 1.0
NE2 A:GLN92 3.4 12.3 1.0
CAN A:3BS300 3.4 38.7 1.0
CZ A:PHE131 3.7 13.9 1.0
SAT A:3BS300 3.9 39.9 1.0
CG1 A:VAL121 3.9 5.0 1.0
CD A:GLN92 4.0 9.7 1.0
CAK A:3BS300 4.0 34.1 1.0
CAD A:3BS300 4.0 31.6 1.0
CE2 A:PHE131 4.1 11.9 1.0
CG A:GLN92 4.2 8.4 1.0
CG2 A:VAL121 4.2 6.0 1.0
NAO A:3BS300 4.3 39.5 1.0
O A:HOH515 4.3 27.1 1.0
CB A:VAL121 4.4 6.3 1.0
CAJ A:3BS300 4.5 33.0 1.0
CE1 A:PHE131 4.6 12.9 1.0
O A:HOH507 4.7 32.0 1.0
OE1 A:GLN92 4.7 7.1 1.0

Reference:

L.Ciani, A.Cecchi, C.Temperini, C.T.Supuran, S.Ristori. Dissecting the Inhibition Mechanism of Cytosolic Versus Transmembrane Carbonic Anhydrases By Esr J.Phys.Chem.B V. 113 13998 2009.
ISSN: ISSN 1089-5647
PubMed: 19778001
DOI: 10.1021/JP906593C
Page generated: Sat Jul 20 18:49:47 2024

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