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Chlorine in PDB 4ee6: Crystal Structure of the Novel Phenazine Prenyltransferase Epzp (Methylated)

Protein crystallography data

The structure of Crystal Structure of the Novel Phenazine Prenyltransferase Epzp (Methylated), PDB code: 4ee6 was solved by G.Zocher, T.Stehle, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.93 / 1.33
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 42.140, 135.600, 48.530, 90.00, 95.73, 90.00
R / Rfree (%) 19 / 21.3

Other elements in 4ee6:

The structure of Crystal Structure of the Novel Phenazine Prenyltransferase Epzp (Methylated) also contains other interesting chemical elements:

Magnesium (Mg) 4 atoms

Chlorine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 12;

Binding sites:

The binding sites of Chlorine atom in the Crystal Structure of the Novel Phenazine Prenyltransferase Epzp (Methylated) (pdb code 4ee6). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 12 binding sites of Chlorine where determined in the Crystal Structure of the Novel Phenazine Prenyltransferase Epzp (Methylated), PDB code: 4ee6:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 12 in 4ee6

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Chlorine binding site 1 out of 12 in the Crystal Structure of the Novel Phenazine Prenyltransferase Epzp (Methylated)


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 the Novel Phenazine Prenyltransferase Epzp (Methylated) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl402

b:15.3
occ:1.00
 O A:HOH607 3.0 13.7 1.0
OG1 A:THR276 3.2 10.3 1.0
CB A:THR276 3.7 10.2 1.0
CB A:LYS278 4.0 16.1 1.0
CG2 A:THR276 4.0 10.0 1.0
CG A:LYS278 4.1 18.9 1.0
OH A:TYR281 4.4 22.6 1.0
CE1 A:TYR281 4.4 18.9 1.0
N A:LYS278 4.7 10.5 1.0
CZ A:TYR281 4.8 17.9 1.0
O A:HOH798 4.9 19.2 1.0
CA A:LYS278 4.9 13.5 1.0

Chlorine binding site 2 out of 12 in 4ee6

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Chlorine binding site 2 out of 12 in the Crystal Structure of the Novel Phenazine Prenyltransferase Epzp (Methylated)


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 the Novel Phenazine Prenyltransferase Epzp (Methylated) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl403

b:13.4
occ:1.00
 O A:HOH592 2.7 12.5 1.0
O B:HOH611 2.8 12.7 1.0
N A:ALA185 3.1 7.6 1.0
N B:ALA185 3.1 7.3 1.0
O A:HOH684 3.1 14.1 1.0
CA A:PRO184 3.7 7.7 1.0
CB B:ALA185 3.7 8.9 1.0
CB A:ALA185 3.7 9.2 1.0
CA B:PRO184 3.7 7.3 1.0
C A:PRO184 3.9 7.8 1.0
C B:PRO184 3.9 8.1 1.0
O A:HOH540 4.0 11.8 1.0
CA A:ALA185 4.0 8.9 1.0
O B:HOH568 4.0 12.8 1.0
CA B:ALA185 4.0 8.0 1.0
CB B:PRO184 4.3 8.3 1.0
CB A:PRO184 4.3 8.9 1.0
O B:HOH831 4.4 17.8 1.0
O A:HOH574 4.8 13.5 1.0
O A:VAL183 4.8 7.6 1.0
O B:HOH584 4.8 12.2 1.0
O B:VAL183 4.8 8.5 1.0
N A:PRO184 4.9 6.8 1.0
N B:PRO184 4.9 7.8 1.0
O A:HOH577 5.0 15.8 1.0

Chlorine binding site 3 out of 12 in 4ee6

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Chlorine binding site 3 out of 12 in the Crystal Structure of the Novel Phenazine Prenyltransferase Epzp (Methylated)


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 the Novel Phenazine Prenyltransferase Epzp (Methylated) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl404

b:14.7
occ:0.60
 CL A:CL405 2.2 11.8 0.4
O A:HOH593 2.9 13.1 1.0
OG A:SER236 3.1 8.9 1.0
OH A:TYR220 3.2 9.3 0.6
O A:HOH559 3.2 14.3 1.0
CA A:GLY272 3.5 4.4 1.0
O A:TYR271 3.5 7.2 1.0
N A:GLY272 3.6 5.2 1.0
CE2 A:TYR220 3.6 8.6 0.6
CB A:SER236 3.6 7.5 1.0
C A:TYR271 3.6 4.7 1.0
O A:HOH683 3.7 13.4 1.0
CG1 A:VAL270 3.7 6.7 1.0
CZ A:TYR220 3.9 7.9 0.6
CE1 A:TYR220 3.9 7.8 0.4
CA A:SER236 4.3 6.5 1.0
OH A:TYR220 4.3 6.8 0.4
O A:HOH530 4.4 10.4 1.0
N A:TYR271 4.5 5.4 1.0
CA A:TYR271 4.6 5.0 1.0
CZ A:TYR220 4.6 6.2 0.4
C A:VAL270 4.7 6.9 1.0
O A:VAL270 4.8 6.2 1.0
CD1 A:TYR220 4.8 5.7 0.4
CD2 A:TYR220 4.8 7.0 0.6
CG2 A:THR234 4.8 6.1 1.0
O A:TYR235 4.9 5.8 1.0
C A:GLY272 4.9 5.2 1.0
CB A:VAL270 4.9 7.3 1.0

Chlorine binding site 4 out of 12 in 4ee6

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Chlorine binding site 4 out of 12 in the Crystal Structure of the Novel Phenazine Prenyltransferase Epzp (Methylated)


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 the Novel Phenazine Prenyltransferase Epzp (Methylated) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl405

b:11.8
occ:0.40
 OH A:TYR220 1.9 9.3 0.6
CL A:CL404 2.2 14.7 0.6
OH A:TYR220 2.8 6.8 0.4
NH2 A:ARG49 3.1 16.6 1.0
CZ A:TYR220 3.1 7.9 0.6
O A:HOH559 3.1 14.3 1.0
O A:HOH593 3.4 13.1 1.0
CG A:MLY283 3.5 11.1 1.0
CB A:MLY283 3.5 7.2 1.0
CE1 A:TYR220 3.5 7.8 0.4
CZ A:TYR220 3.6 6.2 0.4
CE2 A:TYR220 3.7 8.6 0.6
CA A:GLY272 4.0 4.4 1.0
CD A:ARG49 4.2 13.6 1.0
N A:GLY272 4.2 5.2 1.0
CZ A:ARG49 4.2 15.4 1.0
CE1 A:TYR220 4.2 8.7 0.6
CG2 A:THR234 4.4 6.1 1.0
O A:HOH530 4.4 10.4 1.0
CD A:MLY283 4.6 13.9 1.0
NE A:ARG49 4.6 12.2 1.0
O A:HOH869 4.7 17.1 0.8
OH A:TYR174 4.7 11.6 1.0
O A:HOH616 4.8 12.0 1.0
C A:TYR271 4.8 4.7 1.0
CD1 A:TYR220 4.8 5.7 0.4
CA A:MLY283 4.9 7.5 1.0
CE2 A:TYR220 4.9 7.4 0.4
C A:GLY272 4.9 5.2 1.0

Chlorine binding site 5 out of 12 in 4ee6

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Chlorine binding site 5 out of 12 in the Crystal Structure of the Novel Phenazine Prenyltransferase Epzp (Methylated)


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 the Novel Phenazine Prenyltransferase Epzp (Methylated) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl406

b:13.0
occ:1.00
 O A:HOH578 3.2 11.1 1.0
NH2 A:ARG232 3.2 11.6 1.0
ND2 A:ASN172 3.4 11.8 1.0
NH1 A:ARG49 3.5 15.7 1.0
O A:HOH616 3.5 12.0 1.0
OH A:TYR220 3.6 6.8 0.4
NH2 A:ARG49 3.6 16.6 1.0
CE2 A:TYR220 3.8 7.4 0.4
CM A:MLZ117 3.9 12.6 1.0
CZ A:ARG49 4.0 15.4 1.0
CE1 A:TYR220 4.0 8.7 0.6
NZ A:MLZ117 4.0 12.5 1.0
O A:HOH781 4.1 16.1 1.0
CZ A:TYR220 4.1 6.2 0.4
CZ A:ARG232 4.2 11.3 1.0
NE A:ARG232 4.3 10.7 1.0
CG A:ASN172 4.5 9.2 1.0
CE A:MLY283 4.5 13.4 1.0
NZ A:MLY283 4.5 14.8 1.0
OH A:TYR220 4.6 9.3 0.6
OD1 A:ASN172 4.6 10.2 1.0
O A:HOH870 4.7 17.6 1.0
CH2 A:MLY283 4.8 17.6 1.0
O A:HOH759 4.8 18.2 1.0
CZ A:TYR220 4.8 7.9 0.6
OG1 A:THR222 4.9 7.0 1.0
CD1 A:TYR220 5.0 8.1 0.6
CD2 A:TYR220 5.0 5.8 0.4

Chlorine binding site 6 out of 12 in 4ee6

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Chlorine binding site 6 out of 12 in the Crystal Structure of the Novel Phenazine Prenyltransferase Epzp (Methylated)


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 the Novel Phenazine Prenyltransferase Epzp (Methylated) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl404

b:17.9
occ:0.50
 CA B:GLY80 3.6 8.7 1.0
O B:HOH740 3.9 16.0 1.0
O B:HIS79 4.0 9.4 1.0
N B:GLY80 4.3 8.3 1.0
C B:HIS79 4.3 8.3 1.0
O B:GLY80 4.4 10.4 1.0
C B:GLY80 4.5 8.7 1.0
O B:HOH728 4.5 15.0 1.0

Chlorine binding site 7 out of 12 in 4ee6

Go back to Chlorine Binding Sites List in 4ee6
Chlorine binding site 7 out of 12 in the Crystal Structure of the Novel Phenazine Prenyltransferase Epzp (Methylated)


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 the Novel Phenazine Prenyltransferase Epzp (Methylated) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl405

b:13.9
occ:1.00
 O B:SER224 2.8 7.2 1.0
O B:HOH579 2.8 10.2 1.0
N B:ALA142 2.9 7.2 1.0
O B:HOH512 3.0 9.7 1.0
O B:SER227 3.1 7.3 1.0
N B:ASP141 3.3 7.1 1.0
O B:TRP225 3.3 7.5 1.0
CB B:ALA142 3.4 6.8 1.0
C B:TRP225 3.6 6.4 1.0
CA B:TRP225 3.6 6.7 1.0
CA B:ALA142 3.7 6.9 1.0
CB B:PRO140 3.7 7.0 1.0
C B:SER224 3.8 6.3 1.0
C B:ASP141 3.8 7.8 1.0
CA B:ASP141 3.8 7.9 1.0
C B:PRO140 3.9 8.1 1.0
CB B:ASP141 3.9 9.2 1.0
CA B:PRO140 4.0 6.8 1.0
C B:SER227 4.1 7.4 1.0
N B:TRP225 4.2 7.3 1.0
N B:SER227 4.4 7.3 1.0
N B:ASP226 4.4 6.7 1.0
O B:HOH525 4.6 8.3 1.0
O B:HOH599 4.7 11.5 1.0
O B:HOH717 4.7 13.9 1.0
O B:PRO140 4.7 7.2 1.0
CA B:PRO228 4.8 7.7 1.0
O B:HOH592 4.8 13.3 1.0
N B:PRO228 4.8 8.6 1.0
CB B:TRP225 4.9 7.8 1.0
CG B:ASP141 4.9 8.9 1.0
CA B:SER227 5.0 8.0 1.0
O B:ASP141 5.0 7.8 1.0

Chlorine binding site 8 out of 12 in 4ee6

Go back to Chlorine Binding Sites List in 4ee6
Chlorine binding site 8 out of 12 in the Crystal Structure of the Novel Phenazine Prenyltransferase Epzp (Methylated)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Crystal Structure of the Novel Phenazine Prenyltransferase Epzp (Methylated) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl406

b:13.2
occ:1.00
 NH2 B:ARG49 3.1 15.4 0.5
O B:HOH527 3.1 11.4 1.0
NH2 B:ARG232 3.3 11.6 1.0
ND2 B:ASN172 3.4 10.8 1.0
OH B:TYR220 3.6 10.6 0.4
O B:HOH638 3.6 14.4 1.0
CE1 B:TYR220 3.8 8.3 0.4
CH1 B:MLY117 3.8 14.4 1.0
NH1 B:ARG49 3.9 13.9 0.5
CZ B:ARG49 3.9 12.4 0.5
CH2 B:MLY117 4.0 14.1 1.0
CE2 B:TYR220 4.1 7.9 0.6
CZ B:TYR220 4.1 8.8 0.4
NE B:ARG232 4.2 11.3 1.0
NZ B:MLY117 4.2 11.0 1.0
CZ B:ARG232 4.2 12.4 1.0
CH1 B:MLY283 4.3 14.1 1.0
O B:HOH723 4.4 16.3 1.0
CG B:ASN172 4.4 9.3 1.0
CE B:MLY283 4.5 10.3 1.0
OD1 B:ASN172 4.5 11.3 1.0
O B:HOH800 4.6 16.7 1.0
NZ B:MLY283 4.6 12.2 1.0
OG1 B:THR222 4.7 8.2 1.0
OH B:TYR220 4.9 8.3 0.6
CD2 B:TYR220 4.9 7.9 0.6
CD1 B:TYR220 4.9 8.1 0.4
CZ B:TYR220 5.0 9.8 0.6

Chlorine binding site 9 out of 12 in 4ee6

Go back to Chlorine Binding Sites List in 4ee6
Chlorine binding site 9 out of 12 in the Crystal Structure of the Novel Phenazine Prenyltransferase Epzp (Methylated)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Crystal Structure of the Novel Phenazine Prenyltransferase Epzp (Methylated) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl407

b:10.8
occ:0.60
 CL B:CL410 2.2 12.3 0.4
OH B:TYR220 3.0 8.3 0.6
O B:HOH529 3.1 13.1 1.0
O B:HOH652 3.1 13.2 1.0
OG B:SER236 3.2 9.3 1.0
CA B:GLY272 3.4 5.3 1.0
O B:TYR271 3.4 7.8 1.0
N B:GLY272 3.4 5.8 1.0
C B:TYR271 3.5 5.5 1.0
CE1 B:TYR220 3.6 7.3 0.6
CG1 B:VAL270 3.7 8.1 1.0
CB B:SER236 3.7 6.9 1.0
CZ B:TYR220 3.8 9.8 0.6
O B:HOH736 3.8 17.2 1.0
CE2 B:TYR220 4.0 7.3 0.4
CA B:SER236 4.3 6.3 1.0
OH B:TYR220 4.4 10.6 0.4
N B:TYR271 4.4 5.8 1.0
CA B:TYR271 4.4 5.0 1.0
O B:HOH878 4.5 8.1 0.5
CL B:CL409 4.5 14.6 0.5
C B:VAL270 4.6 6.0 1.0
O B:VAL270 4.7 6.7 1.0
CZ B:TYR220 4.7 8.8 0.4
CB B:MLY283 4.8 7.0 1.0
C B:GLY272 4.8 6.1 1.0
O B:TYR235 4.9 6.2 1.0
NH1 B:ARG49 4.9 13.9 0.5
CD1 B:TYR220 4.9 7.7 0.6
CG2 B:THR234 4.9 6.3 1.0
CB B:VAL270 4.9 7.4 1.0
CD2 B:TYR220 5.0 7.3 0.4

Chlorine binding site 10 out of 12 in 4ee6

Go back to Chlorine Binding Sites List in 4ee6
Chlorine binding site 10 out of 12 in the Crystal Structure of the Novel Phenazine Prenyltransferase Epzp (Methylated)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Crystal Structure of the Novel Phenazine Prenyltransferase Epzp (Methylated) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl408

b:19.3
occ:1.00
 O B:HOH756 4.8 16.5 1.0

Reference:

G.Zocher, O.Saleh, J.B.Heim, D.A.Herbst, L.Heide, T.Stehle. Structure-Based Engineering Increased the Catalytic Turnover Rate of A Novel Phenazine Prenyltransferase. Plos One V. 7 48427 2012.
ISSN: ESSN 1932-6203
PubMed: 23119011
DOI: 10.1371/JOURNAL.PONE.0048427
Page generated: Sun Jul 21 12:47:38 2024

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