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Fluorine in PDB 4oz2: Human Solac Complexed with 4-(4-Fluorophenyl)-3-Methyl-1H-Pyrazole

Enzymatic activity of Human Solac Complexed with 4-(4-Fluorophenyl)-3-Methyl-1H-Pyrazole

All present enzymatic activity of Human Solac Complexed with 4-(4-Fluorophenyl)-3-Methyl-1H-Pyrazole:
4.6.1.1;

Protein crystallography data

The structure of Human Solac Complexed with 4-(4-Fluorophenyl)-3-Methyl-1H-Pyrazole, PDB code: 4oz2 was solved by M.Vinkovic, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 27.54 / 2.10
Space group P 63
Cell size a, b, c (Å), α, β, γ (°) 99.436, 99.436, 97.604, 90.00, 90.00, 120.00
R / Rfree (%) 16.6 / 22.2

Other elements in 4oz2:

The structure of Human Solac Complexed with 4-(4-Fluorophenyl)-3-Methyl-1H-Pyrazole also contains other interesting chemical elements:

Chlorine (Cl) 1 atom

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Human Solac Complexed with 4-(4-Fluorophenyl)-3-Methyl-1H-Pyrazole (pdb code 4oz2). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total only one binding site of Fluorine was determined in the Human Solac Complexed with 4-(4-Fluorophenyl)-3-Methyl-1H-Pyrazole, PDB code: 4oz2:

Fluorine binding site 1 out of 1 in 4oz2

Go back to Fluorine Binding Sites List in 4oz2
Fluorine binding site 1 out of 1 in the Human Solac Complexed with 4-(4-Fluorophenyl)-3-Methyl-1H-Pyrazole


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Human Solac Complexed with 4-(4-Fluorophenyl)-3-Methyl-1H-Pyrazole within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F501

b:44.0
occ:1.00
 F12 A:1Z6501 0.0 44.0 1.0
C11 A:1Z6501 1.4 36.9 1.0
C13 A:1Z6501 2.3 36.1 1.0
C10 A:1Z6501 2.3 34.1 1.0
CE2 A:PHE338 3.3 56.9 1.0
CB A:ALA415 3.5 18.9 1.0
C14 A:1Z6501 3.6 35.6 1.0
C9 A:1Z6501 3.6 34.0 1.0
O A:HOH814 3.7 58.8 1.0
CZ A:PHE338 3.7 56.0 1.0
NH1 A:ARG416 3.7 69.3 1.0
C8 A:1Z6501 4.1 34.3 1.0
CD2 A:PHE338 4.2 53.0 1.0
CZ A:ARG416 4.2 88.9 1.0
NH2 A:ARG416 4.4 77.9 1.0
O A:HOH1064 4.5 58.3 1.0
CE1 A:PHE338 4.8 56.7 1.0
O A:HOH1021 4.9 53.2 1.0
CA A:ALA415 4.9 19.2 1.0

Reference:

S.M.Saalau-Bethell, V.Berdini, A.Cleasby, M.Congreve, J.E.Coyle, V.Lock, C.W.Murray, M.A.O'brien, S.J.Rich, T.Sambrook, M.Vinkovic, J.R.Yon, H.Jhoti. Crystal Structure of Human Soluble Adenylate Cyclase Reveals A Distinct, Highly Flexible Allosteric Bicarbonate Binding Pocket. Chemmedchem V. 9 823 2014.
ISSN: ESSN 1860-7187
PubMed: 24616449
DOI: 10.1002/CMDC.201300480
Page generated: Sun Dec 13 12:10:09 2020

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