Fluorine in PDB 4oyt: Crystal Structure of Ternary Complex of Plasmodium Vivax Shmt with D- Serine and Folinic Acid

The structure of Crystal Structure of Ternary Complex of Plasmodium Vivax Shmt with D- Serine and Folinic Acid, PDB code: 4oyt was solved by P.Chitnumsub, A.Jaruwat, U.Leartsakulpanich, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 2.40
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	100.619, 58.115, 236.614, 90.00, 90.00, 90.00
R / Rfree (%)	20 / 25.2

The binding sites of Fluorine atom in the Crystal Structure of Ternary Complex of Plasmodium Vivax Shmt with D- Serine and Folinic Acid (pdb code 4oyt). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Crystal Structure of Ternary Complex of Plasmodium Vivax Shmt with D- Serine and Folinic Acid, PDB code: 4oyt:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in the Crystal Structure of Ternary Complex of Plasmodium Vivax Shmt with D- Serine and Folinic Acid


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 Ternary Complex of Plasmodium Vivax Shmt with D- Serine and Folinic Acid within 5.0Å range: probe atom residue distance (Å) B Occ C:F504 b:58.0 occ:1.00 F1 C:ETF504 0.0 58.0 1.0 C1 C:ETF504 1.3 62.8 1.0 F3 C:ETF504 2.1 63.9 1.0 F2 C:ETF504 2.2 72.7 1.0 C2 C:ETF504 2.3 59.4 1.0 N C:VAL94 2.8 41.4 1.0 O C:HOH661 3.2 33.7 1.0 CA C:GLY93 3.3 40.0 1.0 C C:GLY93 3.5 39.8 1.0 O C:VAL94 3.6 35.0 1.0 O C:ETF504 3.6 51.0 1.0 CG2 C:VAL94 3.8 36.4 1.0 CA C:VAL94 3.9 38.7 1.0 C C:VAL94 4.1 37.8 1.0 CD1 C:LEU82 4.2 40.0 1.0 NE2 C:GLN78 4.2 39.0 1.0 CB C:VAL94 4.4 38.9 1.0 CB C:GLN78 4.5 43.8 1.0 N C:GLY93 4.6 39.2 1.0 O C:TRP92 4.6 41.5 1.0 CD C:GLN78 4.7 42.2 1.0 O C:GLY93 4.7 36.9 1.0 CZ C:PHE249 5.0 36.1 1.0

Fluorine binding site 2 out of 3 in the Crystal Structure of Ternary Complex of Plasmodium Vivax Shmt with D- Serine and Folinic Acid


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Crystal Structure of Ternary Complex of Plasmodium Vivax Shmt with D- Serine and Folinic Acid within 5.0Å range: probe atom residue distance (Å) B Occ C:F504 b:72.7 occ:1.00 F2 C:ETF504 0.0 72.7 1.0 C1 C:ETF504 1.3 62.8 1.0 F3 C:ETF504 2.2 63.9 1.0 F1 C:ETF504 2.2 58.0 1.0 C2 C:ETF504 2.3 59.4 1.0 O C:HOH661 2.8 33.7 1.0 O C:ETF504 2.9 51.0 1.0 OE2 C:GLU258 3.3 51.3 1.0 CA C:GLY93 4.1 40.0 1.0 CD C:GLU258 4.4 51.0 1.0 CE C:LYS251 4.5 44.9 1.0 N C:VAL94 4.6 41.4 1.0 C C:GLY93 4.9 39.8 1.0 NZ C:LYS251 5.0 44.6 1.0 OE1 C:GLU258 5.0 60.1 1.0

Fluorine binding site 3 out of 3 in the Crystal Structure of Ternary Complex of Plasmodium Vivax Shmt with D- Serine and Folinic Acid


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Crystal Structure of Ternary Complex of Plasmodium Vivax Shmt with D- Serine and Folinic Acid within 5.0Å range: probe atom residue distance (Å) B Occ C:F504 b:63.9 occ:1.00 F3 C:ETF504 0.0 63.9 1.0 C1 C:ETF504 1.3 62.8 1.0 F1 C:ETF504 2.1 58.0 1.0 F2 C:ETF504 2.2 72.7 1.0 C2 C:ETF504 2.3 59.4 1.0 O C:ETF504 2.7 51.0 1.0 NE2 C:GLN78 3.0 39.0 1.0 CD C:GLN78 3.5 42.2 1.0 OE1 C:GLN78 3.9 44.1 1.0 O C:VAL94 4.1 35.0 1.0 O C:HOH661 4.4 33.7 1.0 CB C:GLN78 4.4 43.8 1.0 CG C:GLN78 4.5 43.7 1.0 N C:VAL94 4.6 41.4 1.0 OE2 C:GLU258 4.7 51.3 1.0

P.Chitnumsub, A.Jaruwat, P.Riangrungroj, W.Ittarat, K.Noytanom, W.Oonanant, J.Vanichthanankul, P.Chuankhayan, S.Maenpuen, C.-J.Chen, P.Chaiyen, Y.Yuthavong, U.Leartsakulpanich. Structures of Plasmodium Vivax Serine Hydroxymethyltransferase: Implications For Ligand-Binding Specificity and Functional Control Acta Crystallogr.,Sect.D V. 70 3177 2014.
ISSN: ESSN 1399-0047
DOI: 10.1107/S1399004714023128