Molybdenum in PDB 4hi1: Crystal Structure of Acylphosphatase C20R Mutant From Vibrio CHOLERAE0395

All present enzymatic activity of Crystal Structure of Acylphosphatase C20R Mutant From Vibrio CHOLERAE0395:
3.6.1.7;

The structure of Crystal Structure of Acylphosphatase C20R Mutant From Vibrio CHOLERAE0395, PDB code: 4hi1 was solved by S.Nath, R.Banerjee, U.Sen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.71 / 1.96
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	39.710, 81.300, 40.530, 90.00, 90.52, 90.00
R / Rfree (%)	18.7 / 24.9

The binding sites of Molybdenum atom in the Crystal Structure of Acylphosphatase C20R Mutant From Vibrio CHOLERAE0395 (pdb code 4hi1). This binding sites where shown within 5.0 Angstroms radius around Molybdenum atom.
In total 3 binding sites of Molybdenum where determined in the Crystal Structure of Acylphosphatase C20R Mutant From Vibrio CHOLERAE0395, PDB code: 4hi1:
Jump to Molybdenum binding site number: 1; 2; 3;

Molybdenum binding site 1 out of 3 in the Crystal Structure of Acylphosphatase C20R Mutant From Vibrio CHOLERAE0395


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 1 of Crystal Structure of Acylphosphatase C20R Mutant From Vibrio CHOLERAE0395 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mo101 b:47.0 occ:1.00 MO A:MOO101 0.0 47.0 1.0 O1 A:MOO101 2.0 33.3 1.0 O3 A:MOO101 2.0 29.5 1.0 O2 A:MOO101 2.0 27.4 1.0 O4 A:MOO101 2.2 58.3 1.0 O A:HOH201 3.6 11.3 1.0 O B:HOH209 3.6 16.4 1.0 O A:HOH216 3.7 21.2 1.0 CA A:GLY18 3.7 9.1 1.0 N A:GLY18 3.7 11.0 1.0 O A:HOH220 3.8 22.0 1.0 N A:PHE19 3.8 8.8 1.0 C A:GLY18 3.9 9.1 1.0 N A:ARG20 3.9 18.6 1.0 NE A:ARG20 3.9 13.3 1.0 CB A:ARG20 4.0 17.2 1.0 N A:TYR21 4.1 6.6 1.0 NH2 A:ARG20 4.2 16.7 1.0 CA A:ARG20 4.4 17.8 1.0 CZ A:ARG20 4.6 16.9 1.0 O A:GLY18 4.6 10.2 1.0 CG A:ARG20 4.6 14.2 1.0 C A:PHE19 4.7 18.8 1.0 C A:ARG20 4.7 9.4 1.0 CB A:TYR21 4.8 10.0 1.0 N A:VAL17 4.8 15.9 1.0 CA A:PHE19 4.8 12.5 1.0 CD A:ARG20 4.9 12.6 1.0 N A:GLY16 5.0 16.7 1.0 C A:VAL17 5.0 15.7 1.0

Molybdenum binding site 2 out of 3 in the Crystal Structure of Acylphosphatase C20R Mutant From Vibrio CHOLERAE0395


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 2 of Crystal Structure of Acylphosphatase C20R Mutant From Vibrio CHOLERAE0395 within 5.0Å range: probe atom residue distance (Å) B Occ B:Mo101 b:44.6 occ:1.00 MO B:MOO101 0.0 44.6 1.0 O1 B:MOO101 2.0 89.6 1.0 O3 B:MOO101 2.0 19.3 1.0 O2 B:MOO101 2.0 31.2 1.0 O4 B:MOO101 2.2 29.7 1.0 O B:HOH206 3.4 15.6 1.0 O B:HOH202 3.5 9.6 1.0 CA B:GLY18 3.6 14.2 1.0 O B:HOH204 3.6 14.7 1.0 N B:GLY18 3.6 12.7 1.0 N B:PHE19 3.8 12.9 1.0 NE B:ARG20 3.9 13.5 1.0 C B:GLY18 3.9 13.6 1.0 NH2 B:ARG20 3.9 13.3 1.0 N B:ARG20 4.0 12.6 1.0 O B:HOH227 4.1 28.0 1.0 N B:TYR21 4.3 10.6 1.0 CZ B:ARG20 4.3 17.3 1.0 CB B:ARG20 4.4 10.5 1.0 O B:HOH263 4.4 30.8 1.0 CA B:ARG20 4.7 13.9 1.0 O B:GLY18 4.7 13.3 1.0 N B:VAL17 4.8 14.2 1.0 CB B:TYR21 4.8 12.3 1.0 O B:HOH212 4.8 12.9 1.0 C B:VAL17 4.9 15.5 1.0 C B:PHE19 4.9 10.4 1.0 CA B:PHE19 4.9 9.8 1.0 CG B:ARG20 4.9 14.2 1.0 CD B:ARG20 5.0 13.3 1.0

Molybdenum binding site 3 out of 3 in the Crystal Structure of Acylphosphatase C20R Mutant From Vibrio CHOLERAE0395


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 3 of Crystal Structure of Acylphosphatase C20R Mutant From Vibrio CHOLERAE0395 within 5.0Å range: probe atom residue distance (Å) B Occ C:Mo101 b:48.4 occ:1.00 MO C:MOO101 0.0 48.4 1.0 O1 C:MOO101 2.0 24.1 1.0 O3 C:MOO101 2.0 16.3 1.0 O2 C:MOO101 2.0 12.5 1.0 O4 C:MOO101 2.2 60.4 1.0 O C:HOH215 3.4 23.9 1.0 O C:HOH205 3.5 12.8 1.0 O C:HOH201 3.7 8.4 1.0 CA C:GLY18 3.7 12.2 1.0 NE C:ARG20 3.7 14.9 1.0 N C:GLY18 3.8 15.9 1.0 N C:ARG20 4.0 13.1 1.0 N C:PHE19 4.0 16.4 1.0 C C:GLY18 4.0 10.5 1.0 NH2 C:ARG20 4.0 14.3 1.0 CB C:ARG20 4.2 10.9 1.0 O A:HOH256 4.3 24.7 1.0 N C:TYR21 4.3 13.5 1.0 CZ C:ARG20 4.4 18.7 1.0 CG C:ARG20 4.5 15.4 1.0 CA C:ARG20 4.6 14.3 1.0 CD C:ARG20 4.8 11.2 1.0 O C:GLY18 4.8 11.1 1.0 O C:HOH236 4.8 18.8 1.0 C C:PHE19 4.9 16.7 1.0 N C:VAL17 4.9 12.1 1.0 C C:ARG20 5.0 13.9 1.0

S.Nath, R.Banerjee, U.Sen. Crystal Structure of Acylphosphatase C20R Mutant From Vibrio CHOLERAE0395 J.Mol.Biol. 2013.
ISSN: ESSN 1089-8638