Phosphorus in PDB 1aiq: Crystal Structure of Thymidylate Synthase R126E Mutant

All present enzymatic activity of Crystal Structure of Thymidylate Synthase R126E Mutant:
2.1.1.45;

The structure of Crystal Structure of Thymidylate Synthase R126E Mutant, PDB code: 1aiq was solved by P.Strop, W.R.Montfort, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.20
Space group	P 63
Cell size a, b, c (Å), α, β, γ (°)	126.610, 126.610, 67.300, 90.00, 90.00, 120.00
R / Rfree (%)	n/a / n/a

The binding sites of Phosphorus atom in the Crystal Structure of Thymidylate Synthase R126E Mutant (pdb code 1aiq). This binding sites where shown within 5.0 Angstroms radius around Phosphorus atom.
In total 2 binding sites of Phosphorus where determined in the Crystal Structure of Thymidylate Synthase R126E Mutant, PDB code: 1aiq:
Jump to Phosphorus binding site number: 1; 2;

Phosphorus binding site 1 out of 2 in the Crystal Structure of Thymidylate Synthase R126E Mutant


Mono view


Stereo pair view

A full contact list of Phosphorus with other atoms in the P binding site number 1 of Crystal Structure of Thymidylate Synthase R126E Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:P265 b:89.9 occ:1.00 P A:UMP265 0.0 89.9 1.0 OP3 A:UMP265 1.5 32.6 1.0 OP2 A:UMP265 1.5 78.0 1.0 OP1 A:UMP265 1.5 88.7 1.0 O5' A:UMP265 1.6 0.0 1.0 C5' A:UMP265 2.8 36.3 1.0 OE1 B:GLU126 3.4 42.2 1.0 NH2 A:ARG166 3.6 24.2 1.0 NH1 A:ARG166 3.6 20.3 1.0 O A:HOH426 3.7 35.5 1.0 NE A:ARG21 3.7 54.9 1.0 O A:HOH441 3.8 48.0 1.0 C4' A:UMP265 3.9 51.8 1.0 CZ A:ARG166 4.1 26.4 1.0 CD B:GLU126 4.4 28.5 1.0 CD A:ARG21 4.4 31.2 1.0 C3' A:UMP265 4.5 61.5 1.0 NH2 A:ARG21 4.6 53.0 1.0 CB B:GLU126 4.6 17.4 1.0 CZ A:ARG21 4.6 68.2 1.0 CD2 A:LEU143 4.8 46.8 1.0 O A:HOH385 4.8 37.2 1.0 CG A:ARG21 4.9 58.5 1.0 CD B:ARG127 5.0 35.5 1.0

Phosphorus binding site 2 out of 2 in the Crystal Structure of Thymidylate Synthase R126E Mutant


Mono view


Stereo pair view

A full contact list of Phosphorus with other atoms in the P binding site number 2 of Crystal Structure of Thymidylate Synthase R126E Mutant within 5.0Å range: probe atom residue distance (Å) B Occ B:P266 b:85.8 occ:1.00 P B:UMP266 0.0 85.8 1.0 OP3 B:UMP266 1.5 76.3 1.0 OP2 B:UMP266 1.5 60.6 1.0 OP1 B:UMP266 1.5 57.9 1.0 O5' B:UMP266 1.6 0.0 1.0 C5' B:UMP266 2.7 29.8 1.0 NH2 B:ARG166 3.4 16.3 1.0 NH1 B:ARG166 3.5 15.6 1.0 O B:HOH380 3.5 43.0 1.0 OE1 A:GLU126 3.6 40.0 1.0 NH2 B:ARG21 3.8 0.0 1.0 NE B:ARG21 3.8 0.0 1.0 C4' B:UMP266 3.9 84.2 1.0 CZ B:ARG166 3.9 27.4 1.0 CZ B:ARG21 4.2 0.0 1.0 O A:HOH425 4.2 52.3 1.0 C3' B:UMP266 4.5 0.0 1.0 CD A:GLU126 4.7 36.1 1.0 CB A:GLU126 4.8 21.0 1.0 CD B:ARG21 4.9 87.8 1.0 OG B:SER167 4.9 28.5 1.0

P.Strop, L.Changchien, F.Maley, W.R.Montfort. Crystal Structures of A Marginally Active Thymidylate Synthase Mutant, Arg 126-->Glu. Protein Sci. V. 6 2504 1997.
ISSN: ISSN 0961-8368
PubMed: 9416600