Chlorine in PDB 4ixc: Crystal Structure of Human Glucokinase in Complex with A Small Molecule Activator.

Enzymatic activity of Crystal Structure of Human Glucokinase in Complex with A Small Molecule Activator.

All present enzymatic activity of Crystal Structure of Human Glucokinase in Complex with A Small Molecule Activator.:
2.7.1.2;

Protein crystallography data

The structure of Crystal Structure of Human Glucokinase in Complex with A Small Molecule Activator., PDB code: 4ixc was solved by D.J.Ogg, D.Hargreaves, S.Gerhardt, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	25.89 / 2.00
*Space group*	P 4₁
*Cell size a, b, c (Å), α, β, γ (°)*	77.628, 77.628, 85.824, 90.00, 90.00, 90.00
*R / R_free (%)*	18.6 / 24.9

Other elements in 4ixc:

The structure of Crystal Structure of Human Glucokinase in Complex with A Small Molecule Activator. also contains other interesting chemical elements:

Sodium

(Na)

1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Human Glucokinase in Complex with A Small Molecule Activator. (pdb code 4ixc). 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 Human Glucokinase in Complex with A Small Molecule Activator., PDB code: 4ixc:

Chlorine binding site 1 out of 1 in 4ixc

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Chlorine Binding Sites List in 4ixc

Chlorine binding site 1 out of 1 in the Crystal Structure of Human Glucokinase in Complex with A Small Molecule Activator.

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 Human Glucokinase in Complex with A Small Molecule Activator. within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Cl503 b:37.7 occ:1.00	CL1	A:1JD503	0.0	37.7	1.0
	C19	A:1JD503	1.7	36.6	1.0
	C18	A:1JD503	2.6	38.5	1.0
	C20	A:1JD503	2.7	38.5	1.0
	N4	A:1JD503	2.9	31.2	1.0
	N3	A:1JD503	3.3	30.6	1.0
	C16	A:1JD503	3.5	28.5	1.0
	CB	A:SER69	3.6	26.2	1.0
	OG	A:SER69	3.7	27.2	1.0
	CB	A:LEU451	3.8	27.0	1.0
	CG2	A:VAL455	3.8	24.5	1.0
	O	A:LEU451	3.8	25.3	1.0
	CD2	A:LEU451	3.8	27.3	1.0
	N7	A:1JD503	3.9	40.0	1.0
	C21	A:1JD503	4.0	35.2	1.0
	C15	A:1JD503	4.0	29.7	1.0
	N5	A:1JD503	4.0	28.0	1.0
	C14	A:1JD503	4.2	26.5	1.0
	CA	A:LEU451	4.3	24.6	1.0
	CG	A:LEU451	4.3	26.6	1.0
	C	A:LEU451	4.4	24.8	1.0
	C22	A:1JD503	4.4	35.4	1.0
	CD1	A:LEU451	4.7	30.3	1.0
	O	A:GLY68	4.7	28.7	1.0
	C	A:GLY68	4.8	29.2	1.0
	CA	A:SER69	4.8	27.1	1.0
	N	A:SER69	4.8	28.0	1.0
	CD1	A:TYR215	4.9	32.3	1.0

Reference:

M.J.Waring, S.N.L.Bennett, S.Boyd, L.Campbell, R.D.M.Davies, S.Gerhardt, D.Hargreaves, N.G Martin, G.R.Robb, G.Wilkinson. Matched Triplicate Design Sets in the Optimisation of Glucokinase Activators Maximising Medicinal Chemistry Information Content To Be Published.

Page generated: Sun Jul 21 17:05:48 2024

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