Atomistry » Fluorine » PDB 5vta-5wel » 5w8b
Atomistry »
  Fluorine »
    PDB 5vta-5wel »
      5w8b »

Fluorine in PDB 5w8b: Carbonic Anhydrase II in Complex with Activating Histamine Pyridinium Derivative

Enzymatic activity of Carbonic Anhydrase II in Complex with Activating Histamine Pyridinium Derivative

All present enzymatic activity of Carbonic Anhydrase II in Complex with Activating Histamine Pyridinium Derivative:
4.2.1.1;

Protein crystallography data

The structure of Carbonic Anhydrase II in Complex with Activating Histamine Pyridinium Derivative, PDB code: 5w8b was solved by A.Bhatt, M.Ilies, R.Mckenna, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 41.00 / 1.60
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 42.268, 41.252, 72.096, 90.00, 104.10, 90.00
R / Rfree (%) 15.6 / 18.3

Other elements in 5w8b:

The structure of Carbonic Anhydrase II in Complex with Activating Histamine Pyridinium Derivative also contains other interesting chemical elements:

Zinc (Zn) 1 atom

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Carbonic Anhydrase II in Complex with Activating Histamine Pyridinium Derivative (pdb code 5w8b). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 6 binding sites of Fluorine where determined in the Carbonic Anhydrase II in Complex with Activating Histamine Pyridinium Derivative, PDB code: 5w8b:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6;

Fluorine binding site 1 out of 6 in 5w8b

Go back to Fluorine Binding Sites List in 5w8b
Fluorine binding site 1 out of 6 in the Carbonic Anhydrase II in Complex with Activating Histamine Pyridinium Derivative


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Carbonic Anhydrase II in Complex with Activating Histamine Pyridinium Derivative within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F302

b:15.2
occ:1.00
 F1 A:A9J302 0.0 15.2 1.0
P1 A:A9J302 1.6 14.4 1.0
F6 A:A9J302 2.3 15.0 1.0
F5 A:A9J302 2.3 16.5 1.0
F4 A:A9J302 2.3 13.8 1.0
F3 A:A9J302 2.3 15.5 1.0
CG1 A:VAL143 3.2 8.9 1.0
F2 A:A9J302 3.2 18.2 1.0
CG2 A:VAL143 3.2 9.7 1.0
CH2 A:TRP209 3.4 9.1 1.0
ND1 A:HIS119 3.6 8.6 1.0
CB A:HIS119 3.7 7.0 1.0
CZ2 A:TRP209 3.7 9.3 1.0
CB A:VAL143 3.7 10.6 1.0
CG A:HIS119 3.7 6.8 1.0
CG2 A:VAL121 3.7 8.7 1.0
HAS A:A57304 4.0 37.2 0.5
ZN A:ZN301 4.0 9.2 1.0
HAP A:A57304 4.1 35.3 0.5
CE1 A:HIS94 4.3 9.4 1.0
HAV A:A57304 4.4 34.3 0.5
O A:HOH419 4.4 11.4 1.0
CZ3 A:TRP209 4.4 11.2 1.0
CE1 A:HIS119 4.4 8.9 1.0
NE2 A:HIS94 4.6 8.4 1.0
CD2 A:HIS119 4.6 7.9 1.0
HAN A:A57304 4.7 35.3 0.5
HAR A:A57304 4.7 37.2 0.5
CAP A:A57304 4.8 31.0 0.5
CAN A:A57304 4.8 29.4 0.5
CE2 A:TRP209 4.8 9.4 1.0
CB A:VAL121 4.9 7.1 1.0
CA A:HIS119 4.9 7.7 1.0
NE2 A:HIS119 4.9 7.7 1.0

Fluorine binding site 2 out of 6 in 5w8b

Go back to Fluorine Binding Sites List in 5w8b
Fluorine binding site 2 out of 6 in the Carbonic Anhydrase II in Complex with Activating Histamine Pyridinium Derivative


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Carbonic Anhydrase II in Complex with Activating Histamine Pyridinium Derivative within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F302

b:18.2
occ:1.00
 F2 A:A9J302 0.0 18.2 1.0
P1 A:A9J302 1.6 14.4 1.0
F6 A:A9J302 2.2 15.0 1.0
F3 A:A9J302 2.3 15.5 1.0
F4 A:A9J302 2.3 13.8 1.0
F5 A:A9J302 2.4 16.5 1.0
HAR A:A57304 3.1 37.2 0.5
F1 A:A9J302 3.2 15.2 1.0
N A:THR199 3.2 8.8 1.0
CA A:LEU198 3.3 7.3 1.0
HAN A:A57304 3.3 35.3 0.5
HAP A:A57304 3.3 35.3 0.5
HAD A:A57304 3.3 49.6 0.5
O A:HOH419 3.4 11.4 1.0
HAD A:A57304 3.4 49.8 0.5
CB A:LEU198 3.4 11.8 1.0
O A:HOH540 3.5 12.6 1.0
CD2 A:LEU198 3.6 11.0 1.0
HAS A:A57304 3.6 37.2 0.5
HAV A:A57304 3.7 34.3 0.5
CAN A:A57304 3.7 29.4 0.5
C A:LEU198 3.8 8.6 1.0
HAW A:A57304 3.8 34.3 0.5
CAP A:A57304 3.8 31.0 0.5
CG A:LEU198 4.1 10.7 1.0
CAD A:A57304 4.1 41.3 0.5
CAQ A:A57304 4.1 28.6 0.5
HAQ A:A57304 4.2 51.5 0.5
OG1 A:THR199 4.3 11.8 1.0
CAD A:A57304 4.3 41.5 0.5
CG2 A:THR200 4.4 7.1 1.0
HAN A:A57304 4.4 52.6 0.5
CAC A:A57304 4.4 38.5 0.5
CA A:THR199 4.4 7.0 1.0
CAO A:A57304 4.5 36.0 0.5
HAO A:A57304 4.5 35.3 0.5
ZN A:ZN301 4.5 9.2 1.0
N A:THR200 4.5 14.3 1.0
N A:LEU198 4.6 8.1 1.0
HAT A:A57304 4.6 37.2 0.5
CB A:THR199 4.8 9.4 1.0
O A:SER197 4.9 9.3 1.0
C A:THR199 4.9 12.4 1.0
CB A:THR200 4.9 25.4 1.0
CD1 A:LEU198 4.9 10.8 1.0
O A:LEU198 5.0 9.1 1.0

Fluorine binding site 3 out of 6 in 5w8b

Go back to Fluorine Binding Sites List in 5w8b
Fluorine binding site 3 out of 6 in the Carbonic Anhydrase II in Complex with Activating Histamine Pyridinium Derivative


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Carbonic Anhydrase II in Complex with Activating Histamine Pyridinium Derivative within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F302

b:15.5
occ:1.00
 F3 A:A9J302 0.0 15.5 1.0
P1 A:A9J302 1.6 14.4 1.0
F2 A:A9J302 2.3 18.2 1.0
F1 A:A9J302 2.3 15.2 1.0
F6 A:A9J302 2.3 15.0 1.0
F5 A:A9J302 2.3 16.5 1.0
HAV A:A57304 2.5 34.3 0.5
HAN A:A57304 2.6 35.3 0.5
O A:HOH419 2.7 11.4 1.0
HAP A:A57304 2.7 35.3 0.5
ZN A:ZN301 2.9 9.2 1.0
CE1 A:HIS94 2.9 9.4 1.0
NE2 A:HIS94 3.1 8.4 1.0
CAN A:A57304 3.1 29.4 0.5
O A:HOH540 3.2 12.6 1.0
HAS A:A57304 3.2 37.2 0.5
F4 A:A9J302 3.2 13.8 1.0
CAQ A:A57304 3.4 28.6 0.5
HAW A:A57304 3.4 34.3 0.5
HAO A:A57304 3.5 35.3 0.5
ND1 A:HIS119 3.7 8.6 1.0
HAR A:A57304 3.7 37.2 0.5
CAP A:A57304 3.8 31.0 0.5
HAU A:A57304 4.0 34.3 0.5
CG2 A:VAL121 4.0 8.7 1.0
HAD A:A57304 4.1 49.6 0.5
ND1 A:HIS94 4.2 8.3 1.0
CB A:HIS119 4.2 7.0 1.0
CAO A:A57304 4.2 36.0 0.5
HAD A:A57304 4.3 49.8 0.5
CG A:HIS119 4.3 6.8 1.0
CAC A:A57304 4.4 38.5 0.5
CD2 A:HIS94 4.4 10.4 1.0
OG1 A:THR199 4.6 11.8 1.0
CE1 A:HIS119 4.7 8.9 1.0
CAD A:A57304 4.7 41.3 0.5
HAT A:A57304 4.7 37.2 0.5
NE2 A:HIS96 4.8 7.6 1.0
HAQ A:A57304 4.9 43.3 0.5
N A:THR199 4.9 8.8 1.0
CG A:HIS94 5.0 9.1 1.0

Fluorine binding site 4 out of 6 in 5w8b

Go back to Fluorine Binding Sites List in 5w8b
Fluorine binding site 4 out of 6 in the Carbonic Anhydrase II in Complex with Activating Histamine Pyridinium Derivative


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Carbonic Anhydrase II in Complex with Activating Histamine Pyridinium Derivative within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F302

b:13.8
occ:1.00
 F4 A:A9J302 0.0 13.8 1.0
P1 A:A9J302 1.6 14.4 1.0
F6 A:A9J302 2.2 15.0 1.0
F5 A:A9J302 2.3 16.5 1.0
F1 A:A9J302 2.3 15.2 1.0
F2 A:A9J302 2.3 18.2 1.0
F3 A:A9J302 3.2 15.5 1.0
CZ2 A:TRP209 3.4 9.3 1.0
CA A:LEU198 3.4 7.3 1.0
CG2 A:VAL143 3.6 9.7 1.0
CD2 A:LEU198 3.7 11.0 1.0
CG2 A:VAL207 3.7 10.7 1.0
O A:SER197 3.8 9.3 1.0
CH2 A:TRP209 4.0 9.1 1.0
N A:THR199 4.0 8.8 1.0
N A:LEU198 4.1 8.1 1.0
CB A:LEU198 4.2 11.8 1.0
HAR A:A57304 4.2 37.2 0.5
C A:LEU198 4.2 8.6 1.0
CE2 A:TRP209 4.2 9.4 1.0
HAS A:A57304 4.3 37.2 0.5
C A:SER197 4.3 7.1 1.0
HAP A:A57304 4.5 35.3 0.5
CG1 A:VAL207 4.5 9.1 1.0
CB A:VAL143 4.5 10.6 1.0
CG A:LEU198 4.5 10.7 1.0
NE1 A:TRP209 4.6 10.1 1.0
CB A:VAL207 4.6 10.1 1.0
CG1 A:VAL143 4.7 8.9 1.0
CAP A:A57304 4.7 31.0 0.5
O A:HOH419 4.9 11.4 1.0

Fluorine binding site 5 out of 6 in 5w8b

Go back to Fluorine Binding Sites List in 5w8b
Fluorine binding site 5 out of 6 in the Carbonic Anhydrase II in Complex with Activating Histamine Pyridinium Derivative


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Carbonic Anhydrase II in Complex with Activating Histamine Pyridinium Derivative within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F302

b:16.5
occ:1.00
 F5 A:A9J302 0.0 16.5 1.0
P1 A:A9J302 1.6 14.4 1.0
HAS A:A57304 2.0 37.2 0.5
F4 A:A9J302 2.3 13.8 1.0
F1 A:A9J302 2.3 15.2 1.0
F3 A:A9J302 2.3 15.5 1.0
F2 A:A9J302 2.4 18.2 1.0
HAP A:A57304 2.4 35.3 0.5
HAR A:A57304 2.5 37.2 0.5
CAP A:A57304 2.7 31.0 0.5
HAV A:A57304 3.2 34.3 0.5
F6 A:A9J302 3.2 15.0 1.0
HAT A:A57304 3.2 37.2 0.5
CAN A:A57304 3.3 29.4 0.5
HAN A:A57304 3.4 35.3 0.5
CG2 A:VAL121 3.4 8.7 1.0
CD2 A:LEU198 3.7 11.0 1.0
CG2 A:VAL143 3.8 9.7 1.0
HAO A:A57304 3.8 35.3 0.5
CG1 A:VAL121 3.8 7.8 1.0
CAO A:A57304 3.9 36.0 0.5
CAQ A:A57304 3.9 28.6 0.5
HAD A:A57304 4.0 49.8 0.5
HAW A:A57304 4.1 34.3 0.5
HAD A:A57304 4.1 49.6 0.5
CAC A:A57304 4.2 38.5 0.5
CB A:VAL121 4.3 7.1 1.0
CD1 A:LEU141 4.4 10.9 1.0
HAQ A:A57304 4.4 43.3 0.5
CAD A:A57304 4.5 41.3 0.5
CE1 A:HIS94 4.5 9.4 1.0
HAU A:A57304 4.7 34.3 0.5
O A:HOH540 4.7 12.6 1.0
CAD A:A57304 4.7 41.5 0.5
O A:HOH419 4.8 11.4 1.0
CA A:LEU198 4.8 7.3 1.0
CG1 A:VAL143 4.9 8.9 1.0
CAE A:A57304 4.9 41.2 0.5
CB A:LEU198 4.9 11.8 1.0
CB A:VAL143 5.0 10.6 1.0
CG A:LEU198 5.0 10.7 1.0

Fluorine binding site 6 out of 6 in 5w8b

Go back to Fluorine Binding Sites List in 5w8b
Fluorine binding site 6 out of 6 in the Carbonic Anhydrase II in Complex with Activating Histamine Pyridinium Derivative


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Carbonic Anhydrase II in Complex with Activating Histamine Pyridinium Derivative within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F302

b:15.0
occ:1.00
 F6 A:A9J302 0.0 15.0 1.0
P1 A:A9J302 1.6 14.4 1.0
F2 A:A9J302 2.2 18.2 1.0
F4 A:A9J302 2.2 13.8 1.0
F1 A:A9J302 2.3 15.2 1.0
F3 A:A9J302 2.3 15.5 1.0
O A:HOH419 2.9 11.4 1.0
F5 A:A9J302 3.2 16.5 1.0
OG1 A:THR199 3.3 11.8 1.0
N A:THR199 3.3 8.8 1.0
CZ2 A:TRP209 3.3 9.3 1.0
ZN A:ZN301 3.5 9.2 1.0
CH2 A:TRP209 3.5 9.1 1.0
ND1 A:HIS119 3.5 8.6 1.0
CG2 A:THR199 3.6 8.3 1.0
CB A:THR199 3.8 9.4 1.0
CE1 A:HIS119 3.9 8.9 1.0
CA A:LEU198 4.1 7.3 1.0
CA A:THR199 4.2 7.0 1.0
C A:LEU198 4.2 8.6 1.0
CG A:HIS119 4.4 6.8 1.0
O A:SER197 4.5 9.3 1.0
O A:HOH540 4.5 12.6 1.0
CE2 A:TRP209 4.6 9.4 1.0
HAN A:A57304 4.6 35.3 0.5
HAP A:A57304 4.7 35.3 0.5
NE2 A:HIS94 4.7 8.4 1.0
OE1 A:GLU106 4.8 9.3 1.0
HAV A:A57304 4.8 34.3 0.5
NE2 A:HIS119 4.8 7.7 1.0
CZ3 A:TRP209 4.9 11.2 1.0
CB A:LEU198 4.9 11.8 1.0
HAS A:A57304 4.9 37.2 0.5
CB A:HIS119 4.9 7.0 1.0
CE1 A:HIS94 4.9 9.4 1.0

Reference:

A.Bhatt, U.K.Mondal, C.T.Supuran, M.A.Ilies, R.Mckenna. Crystal Structure of Carbonic Anhydrase II in Complex with An Activating Ligand: Implications in Neuronal Function. Mol. Neurobiol. V. 55 7431 2018.
ISSN: ISSN 1559-1182
PubMed: 29423818
DOI: 10.1007/S12035-017-0854-2
Page generated: Thu Aug 1 16:26:02 2024

Last articles

Zn in 9JYW
Zn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy