Atomistry » Chlorine » PDB 3ec8-3erp » 3eft
Atomistry »
  Chlorine »
    PDB 3ec8-3erp »
      3eft »

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 Dec 12 09:40:10 2020

Last articles

Zn in 7VD8
Zn in 7V1R
Zn in 7V1Q
Zn in 7VPF
Zn in 7T85
Zn in 7T5F
Zn in 7NF9
Zn in 7M4M
Zn in 7M4O
Zn in 7M4N
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy