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Chlorine in PDB 4elx: Structure of Apo E.Coli. 1,4-Dihydroxy-2- Naphthoyl Coa Synthases with Cl

Enzymatic activity of Structure of Apo E.Coli. 1,4-Dihydroxy-2- Naphthoyl Coa Synthases with Cl

All present enzymatic activity of Structure of Apo E.Coli. 1,4-Dihydroxy-2- Naphthoyl Coa Synthases with Cl:
4.1.3.36;

Protein crystallography data

The structure of Structure of Apo E.Coli. 1,4-Dihydroxy-2- Naphthoyl Coa Synthases with Cl, PDB code: 4elx was solved by Y.R.Sun, H.G.Song, J.Li, M.Jiang, Y.Li, J.H.Zhou, Z.H.Guo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 37.39 / 2.19
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 76.470, 133.878, 153.929, 90.00, 90.00, 90.00
R / Rfree (%) 16.7 / 22.7

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Structure of Apo E.Coli. 1,4-Dihydroxy-2- Naphthoyl Coa Synthases with Cl (pdb code 4elx). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the Structure of Apo E.Coli. 1,4-Dihydroxy-2- Naphthoyl Coa Synthases with Cl, PDB code: 4elx:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in 4elx

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Chlorine binding site 1 out of 6 in the Structure of Apo E.Coli. 1,4-Dihydroxy-2- Naphthoyl Coa Synthases with Cl


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Apo E.Coli. 1,4-Dihydroxy-2- Naphthoyl Coa Synthases with Cl within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl302

b:34.8
occ:1.00
 O A:HOH536 2.8 56.4 1.0
N A:GLY156 3.0 28.3 1.0
NE2 A:GLN154 3.2 20.4 1.0
N A:THR155 3.4 27.2 1.0
CA A:GLY156 3.5 29.6 1.0
CA A:GLY132 3.5 23.9 1.0
O A:HOH401 3.6 61.8 1.0
CZ3 A:TRP184 3.7 22.9 1.0
CH2 A:TRP184 3.8 31.4 1.0
OG1 A:THR155 3.8 31.9 1.0
C A:GLY132 3.9 30.5 1.0
CB A:GLN154 4.0 23.9 1.0
C A:THR155 4.0 32.4 1.0
CA A:THR155 4.2 27.4 1.0
CA A:GLN154 4.2 20.2 1.0
C A:GLN154 4.3 27.3 1.0
O A:GLY132 4.3 27.5 1.0
N A:GLY133 4.3 22.9 1.0
CD A:GLN154 4.4 24.0 1.0
N A:GLY132 4.7 21.3 1.0
CB A:THR155 4.7 31.9 1.0
CG A:GLN154 4.7 23.1 1.0
O A:HOH432 4.8 38.3 1.0
CE3 A:TRP184 4.8 32.8 1.0
OG A:SER161 4.8 46.0 1.0
CZ2 A:TRP184 5.0 25.4 1.0

Chlorine binding site 2 out of 6 in 4elx

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Chlorine binding site 2 out of 6 in the Structure of Apo E.Coli. 1,4-Dihydroxy-2- Naphthoyl Coa Synthases with Cl


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of Apo E.Coli. 1,4-Dihydroxy-2- Naphthoyl Coa Synthases with Cl within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl302

b:38.3
occ:1.00
 N B:GLY156 3.0 32.2 1.0
NE2 B:GLN154 3.1 23.2 1.0
O B:HOH525 3.3 58.5 1.0
O B:HOH518 3.4 48.7 1.0
N B:THR155 3.4 33.2 1.0
CZ3 B:TRP184 3.5 27.0 1.0
CA B:GLY132 3.5 24.4 1.0
CA B:GLY156 3.6 22.4 1.0
CH2 B:TRP184 3.6 27.3 1.0
C B:GLY132 3.9 31.5 1.0
C B:THR155 4.0 34.7 1.0
OG1 B:THR155 4.0 33.3 1.0
CB B:GLN154 4.1 24.2 1.0
CA B:GLN154 4.2 28.4 1.0
CA B:THR155 4.2 32.3 1.0
C B:GLN154 4.3 31.4 1.0
CD B:GLN154 4.3 29.8 1.0
O B:GLY132 4.4 31.4 1.0
N B:GLY133 4.4 24.1 1.0
N B:GLY132 4.7 23.1 1.0
CG B:GLN154 4.7 20.9 1.0
CE3 B:TRP184 4.7 22.4 1.0
CZ2 B:TRP184 4.8 30.6 1.0
CB B:THR155 4.8 34.6 1.0
O B:HOH528 4.8 48.6 1.0

Chlorine binding site 3 out of 6 in 4elx

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Chlorine binding site 3 out of 6 in the Structure of Apo E.Coli. 1,4-Dihydroxy-2- Naphthoyl Coa Synthases with Cl


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structure of Apo E.Coli. 1,4-Dihydroxy-2- Naphthoyl Coa Synthases with Cl within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl302

b:36.5
occ:1.00
 O C:HOH482 2.6 48.1 1.0
N C:GLY156 2.9 37.0 1.0
O C:HOH477 3.0 42.7 1.0
O C:HOH484 3.1 69.8 1.0
NE2 C:GLN154 3.1 21.6 1.0
N C:THR155 3.3 28.3 1.0
CA C:GLY156 3.5 32.0 1.0
CA C:GLY132 3.6 21.5 1.0
CZ3 C:TRP184 3.6 21.7 1.0
CH2 C:TRP184 3.8 26.9 1.0
C C:GLY132 3.9 27.9 1.0
CB C:GLN154 3.9 22.1 1.0
C C:THR155 3.9 34.0 1.0
OG1 C:THR155 4.0 27.3 1.0
CA C:THR155 4.1 32.5 1.0
CA C:GLN154 4.1 24.3 1.0
C C:GLN154 4.2 30.6 1.0
CD C:GLN154 4.3 29.4 1.0
O C:GLY132 4.3 27.8 1.0
N C:GLY133 4.4 24.7 1.0
CG C:GLN154 4.6 24.7 1.0
N C:GLY132 4.7 29.0 1.0
CB C:THR155 4.7 28.2 1.0
CE3 C:TRP184 4.7 25.0 1.0
O C:HOH413 4.9 33.8 1.0
CZ2 C:TRP184 5.0 21.9 1.0
C C:GLY156 5.0 32.1 1.0

Chlorine binding site 4 out of 6 in 4elx

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Chlorine binding site 4 out of 6 in the Structure of Apo E.Coli. 1,4-Dihydroxy-2- Naphthoyl Coa Synthases with Cl


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Structure of Apo E.Coli. 1,4-Dihydroxy-2- Naphthoyl Coa Synthases with Cl within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl302

b:36.0
occ:1.00
 O D:HOH485 3.0 38.5 1.0
NE2 D:GLN154 3.0 26.4 1.0
O D:HOH484 3.0 55.0 1.0
N D:GLY156 3.1 36.4 1.0
O D:HOH472 3.3 47.6 1.0
N D:THR155 3.4 34.0 1.0
CZ3 D:TRP184 3.7 29.9 1.0
CA D:GLY132 3.7 31.9 1.0
CA D:GLY156 3.7 38.0 1.0
CH2 D:TRP184 3.7 32.8 1.0
CB D:GLN154 3.9 30.6 1.0
C D:GLY132 4.0 31.9 1.0
OG1 D:THR155 4.0 43.1 1.0
CA D:GLN154 4.1 25.8 1.0
C D:THR155 4.1 32.4 1.0
CD D:GLN154 4.2 28.9 1.0
C D:GLN154 4.2 28.3 1.0
CA D:THR155 4.3 30.2 1.0
N D:GLY133 4.4 30.6 1.0
O D:GLY132 4.4 28.2 1.0
CG D:GLN154 4.6 26.6 1.0
N D:GLY132 4.7 24.9 1.0
CB D:THR155 4.8 34.2 1.0
CE3 D:TRP184 4.8 27.5 1.0
O D:HOH483 4.9 46.7 1.0
CZ2 D:TRP184 4.9 25.8 1.0

Chlorine binding site 5 out of 6 in 4elx

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Chlorine binding site 5 out of 6 in the Structure of Apo E.Coli. 1,4-Dihydroxy-2- Naphthoyl Coa Synthases with Cl


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Structure of Apo E.Coli. 1,4-Dihydroxy-2- Naphthoyl Coa Synthases with Cl within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Cl302

b:36.5
occ:1.00
 N F:GLY156 3.1 33.2 1.0
O F:HOH465 3.2 42.7 1.0
NE2 F:GLN154 3.3 24.9 1.0
N F:THR155 3.5 31.6 1.0
CZ3 F:TRP184 3.5 22.4 1.0
CH2 F:TRP184 3.6 22.5 1.0
CA F:GLY132 3.6 29.2 1.0
CA F:GLY156 3.6 28.5 1.0
C F:GLY132 3.9 29.9 1.0
OG1 F:THR155 4.0 31.1 1.0
CB F:GLN154 4.0 19.6 1.0
C F:THR155 4.1 35.7 1.0
CA F:GLN154 4.3 31.1 1.0
CA F:THR155 4.3 32.8 1.0
N F:GLY133 4.3 22.2 1.0
O F:GLY132 4.3 23.2 1.0
C F:GLN154 4.4 27.1 1.0
CD F:GLN154 4.4 32.3 1.0
CE3 F:TRP184 4.7 20.3 1.0
CG F:GLN154 4.7 18.1 1.0
N F:GLY132 4.7 23.1 1.0
CZ2 F:TRP184 4.8 25.0 1.0
CB F:THR155 4.8 34.3 1.0

Chlorine binding site 6 out of 6 in 4elx

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Chlorine binding site 6 out of 6 in the Structure of Apo E.Coli. 1,4-Dihydroxy-2- Naphthoyl Coa Synthases with Cl


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Structure of Apo E.Coli. 1,4-Dihydroxy-2- Naphthoyl Coa Synthases with Cl within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Cl303

b:70.7
occ:1.00
 O F:HOH430 2.4 36.6 1.0
O B:HOH529 2.8 70.9 1.0
O F:HOH410 3.1 26.9 1.0
O F:ASP239 3.4 27.0 1.0
NH2 F:ARG173 3.5 29.6 1.0
O F:HOH497 4.0 55.8 1.0
NH2 B:ARG173 4.1 24.5 1.0
O E:HOH436 4.2 37.8 1.0
CZ F:ARG173 4.4 26.9 1.0
NH1 F:ARG173 4.4 18.2 1.0
C F:ASP239 4.4 28.5 1.0
O F:CYS240 4.7 23.2 1.0
CA F:CYS240 4.7 18.9 1.0
O E:HOH413 4.8 37.2 1.0
C F:CYS240 4.9 24.2 1.0

Reference:

Y.R.Sun, H.G.Song, J.Li, M.Jiang, Y.Li, J.H.Zhou, Z.H.Guo. Active Site Binding and Catalytic Role of Bicarbonate in 1,4-Dihydroxy-2-Naphthoyl Coenzyme A Synthases From Vitamin K Biosynthetic Pathways Biochemistry V. 51 4580 2012.
ISSN: ISSN 0006-2960
PubMed: 22606952
DOI: 10.1021/BI300486J
Page generated: Fri Jul 11 14:54:33 2025

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