Chlorine in PDB 6an4: Crystal Structure of Escherichia Coli Hppk in Complex with Bisubstrate Analogue Inhibitor Hp-39 (J1F)

Enzymatic activity of Crystal Structure of Escherichia Coli Hppk in Complex with Bisubstrate Analogue Inhibitor Hp-39 (J1F)

All present enzymatic activity of Crystal Structure of Escherichia Coli Hppk in Complex with Bisubstrate Analogue Inhibitor Hp-39 (J1F):
2.7.6.3;

Protein crystallography data

The structure of Crystal Structure of Escherichia Coli Hppk in Complex with Bisubstrate Analogue Inhibitor Hp-39 (J1F), PDB code: 6an4 was solved by G.X.Shaw, G.Shi, X.Ji, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	29.85 / 1.47
*Space group*	P 2₁ 2₁ 2₁
*Cell size a, b, c (Å), α, β, γ (°)*	43.778, 48.092, 77.043, 90.00, 90.00, 90.00
*R / R_free (%)*	20 / 21

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Escherichia Coli Hppk in Complex with Bisubstrate Analogue Inhibitor Hp-39 (J1F) (pdb code 6an4). 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 Escherichia Coli Hppk in Complex with Bisubstrate Analogue Inhibitor Hp-39 (J1F), PDB code: 6an4:

Chlorine binding site 1 out of 1 in 6an4

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Chlorine Binding Sites List in 6an4

Chlorine binding site 1 out of 1 in the Crystal Structure of Escherichia Coli Hppk in Complex with Bisubstrate Analogue Inhibitor Hp-39 (J1F)

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 Escherichia Coli Hppk in Complex with Bisubstrate Analogue Inhibitor Hp-39 (J1F) within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Cl202 b:21.1 occ:1.00	HE	A:ARG75	2.4	32.4	1.0
	HH21	A:ARG75	2.5	27.1	1.0
	HG3	A:GLN79	2.8	28.1	1.0
	NE	A:ARG75	3.2	27.0	1.0
	O	A:HOH483	3.3	31.0	0.5
	NH2	A:ARG75	3.3	22.6	1.0
	CD	A:GLN79	3.4	21.1	1.0
	CG	A:GLN79	3.5	23.5	1.0
	CZ	A:ARG75	3.7	23.1	1.0
	OE1	A:GLN79	3.7	21.4	1.0
	NE2	A:GLN79	3.8	18.8	1.0
	HH22	A:ARG75	4.0	27.1	1.0
	HE21	A:GLN79	4.0	22.5	1.0
	HG2	A:GLN79	4.0	28.1	1.0
	HE22	A:GLN79	4.2	22.5	1.0
	O	A:HOH316	4.2	26.1	1.0
	HD3	A:ARG75	4.3	26.5	1.0
	CD	A:ARG75	4.3	22.1	1.0
	HB3	A:GLN79	4.5	26.7	1.0
	CB	A:GLN79	4.6	22.3	1.0
	HG2	A:ARG75	4.8	25.9	1.0
	O	A:HOH508	4.8	28.0	1.0
	HB2	A:GLN79	5.0	26.7	1.0

Reference:

X.G.Shaw, G.Shi, X.Ji. Bisubstrate Analog Inhibitors of Hppk: Transition State Mimetics To Be Published.

Page generated: Fri Jul 26 22:06:56 2024

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