Chlorine 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 / R_free (%)*	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:

Fluorine

(F)

1 atom

Chlorine Binding Sites:

The binding sites of Chlorine 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 Chlorine atom.
In total only one binding site of Chlorine was determined in the Human Solac Complexed with 4-(4-Fluorophenyl)-3-Methyl-1H-Pyrazole, PDB code: 4oz2:

Chlorine binding site 1 out of 1 in 4oz2

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Chlorine Binding Sites List in 4oz2

Chlorine 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 Chlorine with other atoms in the Cl 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:Cl505 b:32.9 occ:1.00	O	A:HOH1020	2.7	26.5	1.0
	NZ	A:LYS95	3.0	36.7	1.0
	N	A:VAL167	3.5	16.1	1.0
	CG2	A:VAL167	3.8	15.8	1.0
	CE	A:LYS95	3.8	36.8	1.0
	CA	A:LEU166	4.0	19.4	1.0
	CD	A:LYS95	4.0	42.0	1.0
	C	A:LEU166	4.3	20.9	1.0
	O3	A:GOL502	4.3	45.7	1.0
	CD2	A:LEU166	4.3	35.8	1.0
	CD2	A:LEU102	4.3	18.8	1.0
	O	A:VAL167	4.4	19.1	1.0
	CA	A:PHE336	4.4	22.7	1.0
	CB	A:PHE336	4.4	24.4	1.0
	O	A:VAL335	4.5	18.9	1.0
	CA	A:VAL167	4.5	16.4	1.0
	CB	A:VAL167	4.7	17.5	1.0
	O	A:PHE165	4.7	10.2	1.0
	CE1	A:PHE165	4.9	15.5	1.0
	CB	A:LEU166	4.9	22.8	1.0
	C	A:VAL167	5.0	23.0	1.0
	CB	A:LYS95	5.0	19.1	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: Thu Jul 25 23:46:15 2024

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