Fluorine in PDB 1lh5: X-Ray Structural Investigation of Leghemoglobin. VI. Structure of Acetate-Ferrileghemoglobin at A Resolution of 2.0 Angstroms (Russian)

The structure of X-Ray Structural Investigation of Leghemoglobin. VI. Structure of Acetate-Ferrileghemoglobin at A Resolution of 2.0 Angstroms (Russian), PDB code: 1lh5 was solved by B.K.Vainshtein, E.H.Harutyunyan, I.P.Kuranova, V.V.Borisov, N.I.Sosfenov, A.G.Pavlovsky, A.I.Grebenko, N.V.Konareva, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	N/A / 2.00
Space group	B 2
Cell size a, b, c (Å), α, β, γ (°)	93.340, 38.240, 51.910, 90.00, 90.00, 98.80
R / Rfree (%)	n/a / n/a

The structure of X-Ray Structural Investigation of Leghemoglobin. VI. Structure of Acetate-Ferrileghemoglobin at A Resolution of 2.0 Angstroms (Russian) also contains other interesting chemical elements:

Iron

(Fe)

1 atom

The binding sites of Fluorine atom in the X-Ray Structural Investigation of Leghemoglobin. VI. Structure of Acetate-Ferrileghemoglobin at A Resolution of 2.0 Angstroms (Russian) (pdb code 1lh5). 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 X-Ray Structural Investigation of Leghemoglobin. VI. Structure of Acetate-Ferrileghemoglobin at A Resolution of 2.0 Angstroms (Russian), PDB code: 1lh5:

Fluorine binding site 1 out of 1 in the X-Ray Structural Investigation of Leghemoglobin. VI. Structure of Acetate-Ferrileghemoglobin at A Resolution of 2.0 Angstroms (Russian)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of X-Ray Structural Investigation of Leghemoglobin. VI. Structure of Acetate-Ferrileghemoglobin at A Resolution of 2.0 Angstroms (Russian) within 5.0Å range: probe atom residue distance (Å) B Occ A:F154 b:20.1 occ:1.00 FE A:HEM155 1.9 14.5 1.0 O A:HOH218 2.4 29.2 1.0 NA A:HEM155 2.7 3.0 1.0 NE2 A:HIS63 2.8 14.1 1.0 NC A:HEM155 2.8 13.5 1.0 ND A:HEM155 2.9 24.9 1.0 NB A:HEM155 3.0 12.8 1.0 C4A A:HEM155 3.4 23.6 1.0 CE1 A:HIS63 3.4 21.4 1.0 CG2 A:VAL67 3.5 20.6 1.0 C4C A:HEM155 3.6 26.0 1.0 C1A A:HEM155 3.6 8.6 1.0 C1D A:HEM155 3.7 13.8 1.0 C1B A:HEM155 3.7 11.9 1.0 C1C A:HEM155 3.8 12.4 1.0 CHB A:HEM155 3.9 13.1 1.0 C4D A:HEM155 3.9 16.3 1.0 CD2 A:HIS63 3.9 23.6 1.0 C4B A:HEM155 3.9 4.7 1.0 CHD A:HEM155 4.0 15.2 1.0 NE2 A:HIS97 4.0 7.1 1.0 CHA A:HEM155 4.2 12.1 1.0 CHC A:HEM155 4.2 5.4 1.0 C3A A:HEM155 4.5 7.7 1.0 CE2 A:PHE44 4.5 13.7 1.0 C2A A:HEM155 4.6 19.5 1.0 ND1 A:HIS63 4.7 26.1 1.0 C3C A:HEM155 4.8 20.9 1.0 CG A:HIS63 4.8 15.3 1.0 C2C A:HEM155 4.9 13.3 1.0 CE1 A:HIS97 4.9 16.6 1.0 CD2 A:HIS97 4.9 12.4 1.0 CZ A:PHE44 4.9 11.2 1.0

E.G.Arutyunyan, I.P.Kuranova, B.K.Vainshtein, W.Steigemann. X-Ray Structural Investigation of Leghemoglobin. VI. Structure of Acetate-Ferrileghemoglobin at A Resolution of 2.0 Angstroms (Russian) Kristallografiya V. 25 80 1980.
ISSN: ISSN 0023-4761