Fluorine in PDB 3nw7: Crystal Structure of Insulin-Like Growth Factor 1 Receptor (Igf-1R-Wt) Complex with A Carbon-Linked Proline Isostere Inhibitor (34)

Enzymatic activity of Crystal Structure of Insulin-Like Growth Factor 1 Receptor (Igf-1R-Wt) Complex with A Carbon-Linked Proline Isostere Inhibitor (34)

All present enzymatic activity of Crystal Structure of Insulin-Like Growth Factor 1 Receptor (Igf-1R-Wt) Complex with A Carbon-Linked Proline Isostere Inhibitor (34):
2.7.10.1;

Protein crystallography data

The structure of Crystal Structure of Insulin-Like Growth Factor 1 Receptor (Igf-1R-Wt) Complex with A Carbon-Linked Proline Isostere Inhibitor (34), PDB code: 3nw7 was solved by J.S.Sack, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	26.95 / 2.11
*Space group*	C 1 2 1
*Cell size a, b, c (Å), α, β, γ (°)*	107.508, 41.123, 80.385, 90.00, 121.64, 90.00
*R / R_free (%)*	16.5 / 22.6

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of Insulin-Like Growth Factor 1 Receptor (Igf-1R-Wt) Complex with A Carbon-Linked Proline Isostere Inhibitor (34) (pdb code 3nw7). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total only one binding site of Fluorine was determined in the Crystal Structure of Insulin-Like Growth Factor 1 Receptor (Igf-1R-Wt) Complex with A Carbon-Linked Proline Isostere Inhibitor (34), PDB code: 3nw7:

Fluorine binding site 1 out of 1 in 3nw7

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Fluorine Binding Sites List in 3nw7

Fluorine binding site 1 out of 1 in the Crystal Structure of Insulin-Like Growth Factor 1 Receptor (Igf-1R-Wt) Complex with A Carbon-Linked Proline Isostere Inhibitor (34)

Mono view

Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure of Insulin-Like Growth Factor 1 Receptor (Igf-1R-Wt) Complex with A Carbon-Linked Proline Isostere Inhibitor (34) within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:F1 b:18.8 occ:1.00	F29	A:LGV1	0.0	18.8	1.0
	C12	A:LGV1	1.3	12.9	1.0
	N20	A:LGV1	2.3	13.2	1.0
	C4	A:LGV1	2.3	10.0	1.0
	O	A:HOH162	3.1	19.1	1.0
	C	A:ASN1110	3.2	13.0	1.0
	CA	A:ASN1110	3.2	9.0	1.0
	O	A:ASP1123	3.3	21.7	1.0
	O	A:ASN1110	3.3	12.0	1.0
	CA	A:GLY1122	3.4	9.2	1.0
	C6	A:LGV1	3.5	10.7	1.0
	N	A:ASP1123	3.5	14.1	1.0
	C2	A:LGV1	3.6	10.4	1.0
	O	A:ARG1109	3.7	11.1	1.0
	C	A:GLY1122	3.7	13.3	1.0
	N	A:CYS1111	3.9	10.0	1.0
	C8	A:LGV1	4.1	12.6	1.0
	OD1	A:ASN1110	4.1	6.9	1.0
	CB	A:ASN1110	4.1	6.3	1.0
	CG	A:MET1112	4.1	13.6	1.0
	C	A:ASP1123	4.2	19.9	1.0
	N	A:GLY1122	4.2	10.0	1.0
	SD	A:MET1112	4.2	19.3	1.0
	N	A:ASN1110	4.3	9.1	1.0
	O	A:HOH7	4.3	13.2	1.0
	C	A:ARG1109	4.4	11.8	1.0
	CA	A:ASP1123	4.4	14.4	1.0
	O	A:CYS1111	4.4	11.9	1.0
	C	A:CYS1111	4.5	12.6	1.0
	CG	A:ASN1110	4.6	13.1	1.0
	CA	A:CYS1111	4.6	9.5	1.0
	O	A:GLY1122	4.6	10.0	1.0
	CB	A:ASP1123	4.8	17.4	1.0

Reference:

A.J.Sampognaro, M.D.Wittman, J.M.Carboni, C.Chang, A.F.Greer, W.W.Hurlburt, J.S.Sack, D.M.Vyas. Proline Isosteres in A Series of 2,4-Disubstituted Pyrrolo[1,2-F][1,2,4]Triazine Inhibitors of Igf-1R Kinase and Ir Kinase. Bioorg.Med.Chem.Lett. V. 20 5027 2010.
ISSN: ISSN 0960-894X
PubMed: 20675137
DOI: 10.1016/J.BMCL.2010.07.045

Page generated: Wed Jul 31 21:03:38 2024

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