Calcium in PDB 4itx: P113S Mutant of E. Coli Cystathionine Beta-Lyase Metc Inhibited By Reaction with D-Ala-P

All present enzymatic activity of P113S Mutant of E. Coli Cystathionine Beta-Lyase Metc Inhibited By Reaction with D-Ala-P:
4.4.1.8;

The structure of P113S Mutant of E. Coli Cystathionine Beta-Lyase Metc Inhibited By Reaction with D-Ala-P, PDB code: 4itx was solved by C.J.Squire, Y.Yosaatmadja, V.W.C.Soo, W.M.Patrick, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.40 / 1.61
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	59.970, 153.126, 150.835, 90.00, 90.00, 90.00
R / Rfree (%)	16.2 / 19.5

The binding sites of Calcium atom in the P113S Mutant of E. Coli Cystathionine Beta-Lyase Metc Inhibited By Reaction with D-Ala-P (pdb code 4itx). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the P113S Mutant of E. Coli Cystathionine Beta-Lyase Metc Inhibited By Reaction with D-Ala-P, PDB code: 4itx:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the P113S Mutant of E. Coli Cystathionine Beta-Lyase Metc Inhibited By Reaction with D-Ala-P


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of P113S Mutant of E. Coli Cystathionine Beta-Lyase Metc Inhibited By Reaction with D-Ala-P within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca402 b:25.4 occ:1.00 O A:HOH606 2.3 18.0 1.0 O A:HOH575 2.3 18.5 1.0 OD1 A:ASN12 2.4 16.6 1.0 O A:HOH674 2.5 25.3 1.0 CG A:ASN12 3.5 18.1 1.0 ND2 A:ASN12 3.9 17.7 1.0 NH2 A:ARG15 3.9 18.2 0.5 NH2 A:ARG15 4.1 9.4 0.5 NH1 A:ARG15 4.4 12.7 0.5 CZ A:ARG15 4.7 10.9 0.5 CZ A:ARG15 4.8 20.1 0.5 CB A:ASN12 4.8 12.6 1.0 NH1 A:ARG15 4.9 21.8 0.5 CG1 A:VAL11 5.0 12.1 1.0

Calcium binding site 2 out of 2 in the P113S Mutant of E. Coli Cystathionine Beta-Lyase Metc Inhibited By Reaction with D-Ala-P


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of P113S Mutant of E. Coli Cystathionine Beta-Lyase Metc Inhibited By Reaction with D-Ala-P within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca402 b:26.6 occ:1.00 O B:HOH546 2.3 13.2 1.0 O B:HOH675 2.5 23.1 1.0 O B:HOH656 2.5 32.0 1.0 O B:HOH676 2.5 28.1 1.0 OD1 B:ASN12 2.5 18.4 1.0 CG B:ASN12 3.5 13.6 1.0 ND2 B:ASN12 3.9 19.6 1.0 NH1 B:ARG15 4.0 15.9 1.0 NH2 B:ARG15 4.4 17.0 1.0 CZ B:ARG15 4.6 16.5 1.0 CB B:ASN12 4.9 13.9 1.0

V.W.C.Soo, Y.Yosaatmadja, C.J.Squire, W.M.Patrick. Structure and Activity of P113S Mutant of E. Coli Cystathionine Beta-Lyase (Metc) To Be Published.