Fluorine in PDB 7hbl: Pandda Analysis Group Deposition -- Crystal Structure of HSP90N in Complex with FR12214

Enzymatic activity of Pandda Analysis Group Deposition -- Crystal Structure of HSP90N in Complex with FR12214

All present enzymatic activity of Pandda Analysis Group Deposition -- Crystal Structure of HSP90N in Complex with FR12214:
3.6.4.10;

Protein crystallography data

The structure of Pandda Analysis Group Deposition -- Crystal Structure of HSP90N in Complex with FR12214, PDB code: 7hbl was solved by L.Huang, W.Wang, Z.Zhu, Q.Li, M.Li, H.Zhou, Q.Xu, W.Wen, Q.Wang, F.Yu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	31.18 / 1.65
*Space group*	I 2 2 2
*Cell size a, b, c (Å), α, β, γ (°)*	65.88, 89.24, 99.83, 90, 90, 90
*R / R_free (%)*	17.4 / 19.6

Other elements in 7hbl:

The structure of Pandda Analysis Group Deposition -- Crystal Structure of HSP90N in Complex with FR12214 also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Pandda Analysis Group Deposition -- Crystal Structure of HSP90N in Complex with FR12214 (pdb code 7hbl). 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 Pandda Analysis Group Deposition -- Crystal Structure of HSP90N in Complex with FR12214, PDB code: 7hbl:

Fluorine binding site 1 out of 1 in 7hbl

Go back to

Fluorine Binding Sites List in 7hbl

Fluorine binding site 1 out of 1 in the Pandda Analysis Group Deposition -- Crystal Structure of HSP90N in Complex with FR12214

Mono view

Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Pandda Analysis Group Deposition -- Crystal Structure of HSP90N in Complex with FR12214 within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:F301 b:54.5 occ:0.53	F1	A:9TW301	0.0	54.5	0.5
	C3	A:9TW301	1.4	88.6	1.0
	C4	A:9TW301	2.3	88.0	1.0
	C2	A:9TW301	2.4	82.8	1.0
	CL1	A:9TW301	2.9	67.5	1.0
	CG2	A:ILE128	3.2	34.0	1.0
	CE2	A:PHE118	3.5	40.0	1.0
	C5	A:9TW301	3.6	84.1	1.0
	CZ	A:PHE118	3.6	30.0	1.0
	C1	A:9TW301	3.6	89.7	1.0
	CG1	A:ILE33	3.8	25.9	1.0
	CG1	A:ILE128	4.0	47.2	1.0
	CB	A:ILE128	4.1	46.7	1.0
	C6	A:9TW301	4.1	90.8	1.0
	CD2	A:LEU32	4.2	56.8	1.0
	CD1	A:ILE33	4.5	26.8	1.0
	CA	A:ILE128	4.6	41.6	1.0
	O	A:ILE128	4.6	42.1	1.0
	CD1	A:ILE131	4.6	28.7	1.0
	CD2	A:PHE118	4.8	32.0	1.0
	CD1	A:LEU29	4.9	32.8	1.0
	CA	A:ILE33	4.9	27.6	1.0
	CB	A:ILE33	4.9	23.4	1.0
	CE1	A:PHE118	5.0	35.8	1.0

Reference:

L.Huang, W.Wang, Z.Zhu, Q.Li, M.Li, H.Zhou, Q.Xu, W.Wen, Q.Wang, F.Yu. Novel Starting Points For Fragment-Based Drug Design Against Human Heat-Shock Protein 90 Identified Using Crystallographic Fragment Screening. Iucrj V. 12 177 2025.
ISSN: ESSN 2052-2525
PubMed: 39819741
DOI: 10.1107/S2052252524012247

Page generated: Tue Jul 15 20:22:24 2025

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