Iodine in PDB 8c2g: 14-3-3 Sigma with PIN1 Binding Site PS72 and Covalently Bound CV1040

Enzymatic activity of 14-3-3 Sigma with PIN1 Binding Site PS72 and Covalently Bound CV1040

All present enzymatic activity of 14-3-3 Sigma with PIN1 Binding Site PS72 and Covalently Bound CV1040:
5.2.1.8;

Protein crystallography data

The structure of 14-3-3 Sigma with PIN1 Binding Site PS72 and Covalently Bound CV1040, PDB code: 8c2g was solved by C.J.Verhoef, P.Cossar, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	41.08 / 1.60
*Space group*	C 2 2 2₁
*Cell size a, b, c (Å), α, β, γ (°)*	82.155, 111.817, 62.682, 90, 90, 90
*R / R_free (%)*	17.9 / 18.6

Other elements in 8c2g:

The structure of 14-3-3 Sigma with PIN1 Binding Site PS72 and Covalently Bound CV1040 also contains other interesting chemical elements:

Magnesium

(Mg)

2 atoms

Iodine Binding Sites:

The binding sites of Iodine atom in the 14-3-3 Sigma with PIN1 Binding Site PS72 and Covalently Bound CV1040 (pdb code 8c2g). 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 14-3-3 Sigma with PIN1 Binding Site PS72 and Covalently Bound CV1040, PDB code: 8c2g:

Iodine binding site 1 out of 1 in 8c2g

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Iodine Binding Sites List in 8c2g

Iodine binding site 1 out of 1 in the 14-3-3 Sigma with PIN1 Binding Site PS72 and Covalently Bound CV1040

Mono view

Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of 14-3-3 Sigma with PIN1 Binding Site PS72 and Covalently Bound CV1040 within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:I301 b:91.4 occ:1.00	I1	A:T85301	0.0	91.4	1.0
	C16	A:T85301	2.1	49.7	1.0
	C2	A:T85301	3.0	40.1	1.0
	C15	A:T85301	3.1	53.2	1.0
	C1	A:T85301	3.2	31.7	1.0
	CE2	A:PHE119	3.4	22.5	1.0
	OG	A:SER45	3.5	19.5	1.0
	O	A:HOH425	3.6	34.2	1.0
	CZ	A:PHE119	3.7	18.9	1.0
	CZ3	P:TRP128	3.8	41.3	1.0
	ND2	A:ASN42	4.0	28.5	1.0
	CH2	P:TRP128	4.0	43.9	1.0
	CE3	P:TRP128	4.1	39.6	1.0
	CB	A:SER45	4.1	15.8	1.0
	O	A:HOH535	4.3	20.4	1.0
	C3	A:T85301	4.3	36.3	1.0
	C5	A:T85301	4.4	52.0	1.0
	CD2	A:PHE119	4.5	20.0	1.0
	NZ	A:LYS122	4.5	21.7	1.0
	CZ2	P:TRP128	4.5	38.9	1.0
	CD2	P:TRP128	4.6	38.5	1.0
	CE2	P:TRP128	4.8	38.0	1.0
	CE1	A:PHE119	4.8	17.4	1.0
	C4	A:T85301	4.9	44.0	1.0

Reference:

C.J.Verhoef, D.Kay, L.Van Dijck, R.G.Doveston, L.Brunsveld, A.C.Leney, P.Cossar. Tracking the Mechanism of Covalent Molecular Glue Stabilization Using Native Mass Spectrometry Chem Sci 2023.
ISSN: ESSN 2041-6539
DOI: 10.1039/D3SC01732J

Page generated: Mon Aug 12 02:31:06 2024

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