Fluorine in PDB 3fxz: Crystal Structure of PAK1 Kinase Domain with Ruthenium Complex Lambda-FL172

Enzymatic activity of Crystal Structure of PAK1 Kinase Domain with Ruthenium Complex Lambda-FL172

All present enzymatic activity of Crystal Structure of PAK1 Kinase Domain with Ruthenium Complex Lambda-FL172:
2.7.11.1;

Protein crystallography data

The structure of Crystal Structure of PAK1 Kinase Domain with Ruthenium Complex Lambda-FL172, PDB code: 3fxz was solved by J.Maksimoska, R.Marmorstein, E.Meggers, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	26.38 / 1.64
*Space group*	C 2 2 2₁
*Cell size a, b, c (Å), α, β, γ (°)*	52.183, 103.475, 122.653, 90.00, 90.00, 90.00
*R / R_free (%)*	19.5 / 21.8

Other elements in 3fxz:

The structure of Crystal Structure of PAK1 Kinase Domain with Ruthenium Complex Lambda-FL172 also contains other interesting chemical elements:

Ruthenium	(Ru)	1 atom
Chlorine	(Cl)	1 atom

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of PAK1 Kinase Domain with Ruthenium Complex Lambda-FL172 (pdb code 3fxz). 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 PAK1 Kinase Domain with Ruthenium Complex Lambda-FL172, PDB code: 3fxz:

Fluorine binding site 1 out of 1 in 3fxz

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Fluorine Binding Sites List in 3fxz

Fluorine binding site 1 out of 1 in the Crystal Structure of PAK1 Kinase Domain with Ruthenium Complex Lambda-FL172

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 PAK1 Kinase Domain with Ruthenium Complex Lambda-FL172 within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:F1 b:27.3 occ:1.00	F2	A:FLL1	0.0	27.3	1.0
	C38	A:FLL1	1.3	24.8	1.0
	C39	A:FLL1	2.3	24.3	1.0
	C37	A:FLL1	2.3	24.9	1.0
	O	A:HOH95	3.1	41.4	1.0
	NE	A:ARG299	3.3	31.2	1.0
	CD	A:ARG299	3.4	31.5	1.0
	O	A:HOH90	3.5	43.7	1.0
	N23	A:FLL1	3.5	25.8	1.0
	CG	A:ARG299	3.6	26.6	1.0
	C36	A:FLL1	3.6	24.9	1.0
	O	A:HOH70	3.7	42.2	1.0
	O	A:HOH190	3.8	39.9	1.0
	C40	A:FLL1	4.0	24.9	1.0
	CG2	A:VAL284	4.0	28.7	1.0
	O	A:HOH65	4.1	52.6	1.0
	CZ	A:ARG299	4.1	32.9	1.0
	O	A:HOH63	4.4	55.8	1.0
	O	A:HOH68	4.6	32.6	1.0
	NH2	A:ARG299	4.6	34.8	1.0
	CB	A:ARG299	4.7	25.6	1.0
	OG	A:SER281	4.8	57.8	1.0
	CG1	A:VAL284	4.8	27.5	1.0
	NH1	A:ARG299	4.8	32.3	1.0
	C35	A:FLL1	4.9	24.2	1.0
	C19	A:FLL1	4.9	36.5	1.0

Reference:

J.Maksimoska, L.Feng, K.Harms, C.Yi, J.Kissil, R.Marmorstein, E.Meggers. Targeting Large Kinase Active Site with Rigid, Bulky Octahedral Ruthenium Complexes J.Am.Chem.Soc. V. 130 15764 2008.
ISSN: ISSN 0002-7863
PubMed: 18973295

Page generated: Wed Jul 31 18:42:16 2024

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