Chlorine in PDB 4gec: Crystal Structure of E.Coli Menh R124A Mutant

All present enzymatic activity of Crystal Structure of E.Coli Menh R124A Mutant:
4.2.99.20;

The structure of Crystal Structure of E.Coli Menh R124A Mutant, PDB code: 4gec was solved by J.M.Johnston, E.N.Baker, Z.Guo, M.Jiang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	81.42 / 2.50
Space group	I 41 2 2
Cell size a, b, c (Å), α, β, γ (°)	115.144, 115.144, 469.775, 90.00, 90.00, 90.00
R / Rfree (%)	19.4 / 22.3

The binding sites of Chlorine atom in the Crystal Structure of E.Coli Menh R124A Mutant (pdb code 4gec). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of E.Coli Menh R124A Mutant, PDB code: 4gec:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of E.Coli Menh R124A Mutant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of E.Coli Menh R124A Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl304 b:40.1 occ:1.00 O A:HOH493 2.9 36.2 1.0 O A:HOH434 2.9 36.3 1.0 OH A:TYR148 3.1 56.2 1.0 OH A:TYR85 3.1 49.0 1.0 NH2 A:ARG168 3.3 54.1 1.0 ND2 A:ASN233 3.7 32.4 1.0 CE1 A:TYR148 3.7 51.6 1.0 CE2 A:TYR85 3.9 37.5 1.0 CZ A:TYR148 3.9 57.7 1.0 CZ A:TYR85 3.9 45.8 1.0 CD2 A:LEU164 3.9 55.7 1.0 CE1 A:PHE153 4.0 47.1 1.0 NE A:ARG168 4.2 44.5 1.0 CZ A:ARG168 4.2 60.6 1.0 O A:HOH433 4.2 40.5 1.0 CB A:ASN233 4.4 35.0 1.0 CZ A:PHE153 4.4 45.4 1.0 CG A:ASN233 4.6 50.0 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of E.Coli Menh R124A Mutant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of E.Coli Menh R124A Mutant within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl302 b:50.8 occ:1.00 OH B:TYR148 3.1 62.8 1.0 OH B:TYR85 3.1 50.1 1.0 ND2 B:ASN233 3.3 42.6 1.0 O B:HOH428 3.3 43.9 1.0 CE1 B:TYR148 3.7 61.3 1.0 NH2 B:ARG168 3.7 33.4 1.0 CE1 B:PHE153 3.8 60.0 1.0 CZ B:TYR148 3.8 65.5 1.0 CZ B:TYR85 4.0 50.0 1.0 CE2 B:TYR85 4.1 43.8 1.0 CB B:ASN233 4.1 39.2 1.0 CD2 B:LEU164 4.1 52.2 1.0 CZ B:PHE153 4.2 58.6 1.0 CG B:ASN233 4.2 52.5 1.0 NE B:ARG168 4.4 50.3 1.0 CZ B:ARG168 4.5 53.7 1.0 CD1 B:PHE153 4.8 59.7 1.0 CD1 B:LEU164 4.9 51.4 1.0 CD1 B:TYR148 4.9 60.0 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of E.Coli Menh R124A Mutant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of E.Coli Menh R124A Mutant within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl302 b:47.5 occ:1.00 OH C:TYR85 3.2 41.7 1.0 OH C:TYR148 3.2 45.4 1.0 NH2 C:ARG168 3.3 48.1 1.0 O C:HOH405 3.3 49.3 1.0 ND2 C:ASN233 3.6 35.8 1.0 CE2 C:TYR85 3.7 34.2 1.0 CE1 C:TYR148 3.8 45.0 1.0 CZ C:TYR85 3.9 42.6 1.0 CE1 C:PHE153 3.9 50.6 1.0 CZ C:TYR148 4.0 48.5 1.0 NE C:ARG168 4.1 37.5 1.0 CZ C:ARG168 4.1 51.1 1.0 CD2 C:LEU164 4.1 42.8 1.0 CB C:ASN233 4.2 32.6 1.0 O C:HOH442 4.2 66.2 1.0 CZ C:PHE153 4.2 50.2 1.0 CG C:ASN233 4.3 45.5 1.0 O C:HOH404 4.8 43.1 1.0 CD2 C:TYR85 5.0 33.9 1.0

J.M.Johnston, M.Jiang, Z.Guo, E.N.Baker. Crystal Structures of E. Coli Native Menh and Two Active Site Mutants. Plos One V. 8 61325 2013.
ISSN: ESSN 1932-6203
PubMed: 23637813
DOI: 10.1371/JOURNAL.PONE.0061325