Iodine in PDB 4pvg: Crystal Structure of Protein Tyrosine Phosphatase SHP2 Catalytic Domain Complex with Small Molecular Compound L88N79

Enzymatic activity of Crystal Structure of Protein Tyrosine Phosphatase SHP2 Catalytic Domain Complex with Small Molecular Compound L88N79

All present enzymatic activity of Crystal Structure of Protein Tyrosine Phosphatase SHP2 Catalytic Domain Complex with Small Molecular Compound L88N79:
3.1.3.48;

Protein crystallography data

The structure of Crystal Structure of Protein Tyrosine Phosphatase SHP2 Catalytic Domain Complex with Small Molecular Compound L88N79, PDB code: 4pvg was solved by Z.-Y.Zhang, L.Zeng, D.Liu, Z.Yu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	50.00 / 2.40
*Space group*	P 1
*Cell size a, b, c (Å), α, β, γ (°)*	40.031, 40.921, 48.934, 94.58, 109.19, 109.95
*R / R_free (%)*	23.6 / 28.6

Iodine Binding Sites:

The binding sites of Iodine atom in the Crystal Structure of Protein Tyrosine Phosphatase SHP2 Catalytic Domain Complex with Small Molecular Compound L88N79 (pdb code 4pvg). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total only one binding site of Iodine was determined in the Crystal Structure of Protein Tyrosine Phosphatase SHP2 Catalytic Domain Complex with Small Molecular Compound L88N79, PDB code: 4pvg:

Iodine binding site 1 out of 1 in 4pvg

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Iodine Binding Sites List in 4pvg

Iodine binding site 1 out of 1 in the Crystal Structure of Protein Tyrosine Phosphatase SHP2 Catalytic Domain Complex with Small Molecular Compound L88N79

Mono view

Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Crystal Structure of Protein Tyrosine Phosphatase SHP2 Catalytic Domain Complex with Small Molecular Compound L88N79 within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:I601 b:0.6 occ:1.00	I	A:2WT601	0.0	0.6	1.0
	C8	A:2WT601	2.2	98.1	1.0
	C5	A:2WT601	3.0	96.0	1.0
	C9	A:2WT601	3.3	0.1	1.0
	C4	A:2WT601	3.4	91.2	1.0
	C11	A:2WT601	3.8	0.2	1.0
	NE2	A:GLN506	3.9	81.6	0.5
	C6	A:2WT601	4.3	94.8	1.0
	N1	A:2WT601	4.3	96.2	1.0
	C16	A:2WT601	4.4	0.0	1.0
	OE1	A:GLN506	4.4	79.9	0.5
	C12	A:2WT601	4.5	0.4	1.0
	CE2	A:TYR279	4.6	0.8	1.0
	CD	A:GLN506	4.6	82.0	0.5
	CZ	A:TYR279	4.7	0.3	1.0
	OH	A:TYR279	4.7	0.1	1.0
	C3	A:2WT601	4.7	89.3	1.0

Reference:

Z.-Y.Zhang, L.Zeng, D.Liu, Z.Yu. Crystal Structure of Protein Tyrosine SHP2 Catalytic Domain Complex with Compound L88N79 To Be Published.

Page generated: Sun Aug 11 19:30:09 2024

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