Chlorine in PDB 4geg: Crystal Structure of E.Coli Menh Y85F Mutant

Enzymatic activity of Crystal Structure of E.Coli Menh Y85F Mutant

All present enzymatic activity of Crystal Structure of E.Coli Menh Y85F Mutant:
4.2.99.20;

Protein crystallography data

The structure of Crystal Structure of E.Coli Menh Y85F Mutant, PDB code: 4geg 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) 33.71 / 2.49
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 250.499, 41.589, 93.081, 90.00, 95.89, 90.00
R / Rfree (%) 17.7 / 24.9

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of E.Coli Menh Y85F Mutant (pdb code 4geg). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 7 binding sites of Chlorine where determined in the Crystal Structure of E.Coli Menh Y85F Mutant, PDB code: 4geg:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7;

Chlorine binding site 1 out of 7 in 4geg

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Chlorine binding site 1 out of 7 in the Crystal Structure of E.Coli Menh Y85F 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 Y85F Mutant within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl305

b:27.0
occ:1.00
 OH A:TYR148 3.2 15.3 1.0
O A:HOH444 3.2 17.4 1.0
O A:HOH453 3.3 19.0 1.0
NH2 A:ARG168 3.3 4.7 1.0
ND2 A:ASN233 3.4 9.8 1.0
CE1 A:TYR148 3.6 12.5 1.0
CZ A:TYR148 3.9 17.1 1.0
CD2 A:LEU164 4.0 22.2 1.0
O A:HOH445 4.0 22.8 1.0
CE1 A:PHE153 4.1 16.8 1.0
CE2 A:PHE85 4.1 12.8 1.0
CB A:ASN233 4.1 14.6 1.0
CZ A:PHE85 4.2 10.5 1.0
O A:HOH416 4.2 27.9 1.0
CG A:ASN233 4.3 23.7 1.0
CZ A:ARG168 4.3 14.0 1.0
NE A:ARG168 4.3 9.8 1.0
CZ A:PHE153 4.4 14.8 1.0
CD1 A:TYR148 4.8 13.6 1.0
CD1 A:LEU164 4.9 20.4 1.0

Chlorine binding site 2 out of 7 in 4geg

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Chlorine binding site 2 out of 7 in the Crystal Structure of E.Coli Menh Y85F 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 Y85F Mutant within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl305

b:26.2
occ:1.00
 OH B:TYR148 2.9 20.0 1.0
O B:HOH444 3.3 11.4 1.0
NH2 B:ARG168 3.4 22.7 1.0
ND2 B:ASN233 3.4 18.9 1.0
CE1 B:TYR148 3.5 16.4 1.0
CZ B:TYR148 3.7 21.3 1.0
CE1 B:PHE153 3.8 28.1 1.0
CZ B:PHE153 4.0 27.0 1.0
CE2 B:PHE85 4.2 16.4 1.0
CD2 B:LEU164 4.2 20.9 1.0
CZ B:PHE85 4.3 15.0 1.0
CZ B:ARG168 4.3 31.5 1.0
NE B:ARG168 4.3 18.6 1.0
CB B:ASN233 4.3 15.6 1.0
CG B:ASN233 4.3 30.0 1.0
O B:HOH481 4.5 21.3 1.0
CD1 B:TYR148 4.8 17.3 1.0
CD1 B:LEU164 4.9 18.8 1.0
CD1 B:PHE153 5.0 27.9 1.0

Chlorine binding site 3 out of 7 in 4geg

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Chlorine binding site 3 out of 7 in the Crystal Structure of E.Coli Menh Y85F 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 Y85F Mutant within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl307

b:46.4
occ:1.00
 NE2 B:GLN160 3.6 19.2 1.0
O B:HOH512 3.6 38.2 1.0
CG B:GLN160 4.1 19.6 1.0
CA B:GLU237 4.2 18.8 1.0
CG B:GLU237 4.3 29.4 1.0
O B:ARG236 4.3 25.1 1.0
CD B:GLN160 4.4 27.1 1.0
CB B:GLU237 4.8 19.8 1.0
N B:GLU237 4.8 19.5 1.0
C B:ARG236 4.9 24.0 1.0
O B:GLU237 5.0 20.8 1.0

Chlorine binding site 4 out of 7 in 4geg

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Chlorine binding site 4 out of 7 in the Crystal Structure of E.Coli Menh Y85F Mutant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of E.Coli Menh Y85F Mutant within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl306

b:18.3
occ:1.00
 O C:HOH424 3.2 23.0 1.0
N C:GLY173 3.4 17.6 1.0
CA C:ASN172 3.9 15.6 1.0
CG C:LEU140 4.1 13.6 1.0
ND2 C:ASN172 4.1 8.1 1.0
CD1 C:LEU140 4.1 12.6 1.0
C C:ASN172 4.2 21.8 1.0
CA C:GLY173 4.3 17.0 1.0
O C:ASN171 4.4 20.8 1.0
CG C:ASN172 4.5 19.3 1.0
CB C:ASN172 4.7 14.2 1.0
CD2 C:LEU140 4.8 16.8 1.0
N C:ASN172 4.9 16.5 1.0

Chlorine binding site 5 out of 7 in 4geg

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Chlorine binding site 5 out of 7 in the Crystal Structure of E.Coli Menh Y85F Mutant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of E.Coli Menh Y85F Mutant within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl307

b:15.3
occ:1.00
 ND2 C:ASN233 3.1 18.2 1.0
OH C:TYR148 3.2 14.5 1.0
NH2 C:ARG168 3.4 3.5 1.0
O C:HOH410 3.5 20.3 1.0
CE1 C:TYR148 3.6 14.9 1.0
CZ C:TYR148 3.8 17.4 1.0
CE1 C:PHE153 3.9 24.6 1.0
CE2 C:PHE85 4.0 6.7 1.0
CZ C:PHE153 4.1 24.2 1.0
CG C:ASN233 4.1 22.4 1.0
CZ C:ARG168 4.2 25.5 1.0
CB C:ASN233 4.2 8.2 1.0
CD2 C:LEU164 4.2 9.5 1.0
NE C:ARG168 4.3 16.3 1.0
CZ C:PHE85 4.3 5.1 1.0
CD1 C:TYR148 4.8 16.8 1.0
CD1 C:PHE153 4.9 23.8 1.0
O C:HOH454 4.9 17.1 1.0

Chlorine binding site 6 out of 7 in 4geg

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Chlorine binding site 6 out of 7 in the Crystal Structure of E.Coli Menh Y85F Mutant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Crystal Structure of E.Coli Menh Y85F Mutant within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl309

b:33.2
occ:1.00
 O C:HOH491 2.9 25.9 1.0
O C:HOH533 3.0 17.2 1.0
NH1 C:ARG214 4.1 23.1 1.0
CA C:SER211 4.1 17.7 1.0
CZ C:ARG214 4.1 35.6 1.0
NE C:ARG214 4.2 26.5 1.0
CB C:SER211 4.2 19.3 1.0
CD C:ARG214 4.2 29.3 1.0
CB C:ARG214 4.4 12.7 1.0
O C:SER211 4.7 21.6 1.0
NH2 C:ARG214 4.8 15.8 1.0
O C:HOH534 4.8 25.6 1.0
CG C:ARG214 4.9 22.5 1.0
C C:SER211 4.9 21.6 1.0

Chlorine binding site 7 out of 7 in 4geg

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Chlorine binding site 7 out of 7 in the Crystal Structure of E.Coli Menh Y85F Mutant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Crystal Structure of E.Coli Menh Y85F Mutant within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl310

b:40.0
occ:1.00
 N C:ASP79 3.2 15.8 1.0
N C:LEU78 3.4 11.2 1.0
OD2 C:ASP79 3.7 35.5 1.0
CB C:LEU78 3.8 8.8 1.0
CA C:LEU78 3.9 9.9 1.0
CD1 C:TRP16 3.9 18.9 1.0
C C:LEU78 4.0 18.0 1.0
O C:ASP79 4.1 17.1 1.0
CA C:ASP79 4.2 15.5 1.0
CB C:ASP79 4.2 17.4 1.0
CG C:ASP79 4.3 27.4 1.0
NE1 C:TRP16 4.3 18.7 1.0
O C:ASN76 4.3 18.9 1.0
O C:HOH499 4.4 20.2 1.0
C C:ILE77 4.4 18.6 1.0
CG C:LEU78 4.4 10.3 1.0
CA C:ILE77 4.5 13.9 1.0
C C:ASP79 4.6 18.8 1.0
CD1 C:LEU78 4.7 9.7 1.0

Reference:

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
Page generated: Sat Dec 12 10:39:23 2020

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