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Chlorine in PDB 6fog: X-Ray Structure of Homo Sapiens Fumarylacetoacetate Hydrolase Domain Containing Protein 1 (FAHD1) in Complex with Inhibitor Oxalate at 1.94A Resolution.

Enzymatic activity of X-Ray Structure of Homo Sapiens Fumarylacetoacetate Hydrolase Domain Containing Protein 1 (FAHD1) in Complex with Inhibitor Oxalate at 1.94A Resolution.

All present enzymatic activity of X-Ray Structure of Homo Sapiens Fumarylacetoacetate Hydrolase Domain Containing Protein 1 (FAHD1) in Complex with Inhibitor Oxalate at 1.94A Resolution.:
3.7.1.5; 4.1.1.3;

Protein crystallography data

The structure of X-Ray Structure of Homo Sapiens Fumarylacetoacetate Hydrolase Domain Containing Protein 1 (FAHD1) in Complex with Inhibitor Oxalate at 1.94A Resolution., PDB code: 6fog was solved by A.Naschberger, A.K.H.Weiss, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 85.53 / 1.94
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 75.984, 116.679, 125.753, 90.00, 89.94, 90.00
R / Rfree (%) 18.1 / 20.8

Other elements in 6fog:

The structure of X-Ray Structure of Homo Sapiens Fumarylacetoacetate Hydrolase Domain Containing Protein 1 (FAHD1) in Complex with Inhibitor Oxalate at 1.94A Resolution. also contains other interesting chemical elements:

Magnesium (Mg) 12 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the X-Ray Structure of Homo Sapiens Fumarylacetoacetate Hydrolase Domain Containing Protein 1 (FAHD1) in Complex with Inhibitor Oxalate at 1.94A Resolution. (pdb code 6fog). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the X-Ray Structure of Homo Sapiens Fumarylacetoacetate Hydrolase Domain Containing Protein 1 (FAHD1) in Complex with Inhibitor Oxalate at 1.94A Resolution., PDB code: 6fog:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 6fog

Go back to Chlorine Binding Sites List in 6fog
Chlorine binding site 1 out of 4 in the X-Ray Structure of Homo Sapiens Fumarylacetoacetate Hydrolase Domain Containing Protein 1 (FAHD1) in Complex with Inhibitor Oxalate at 1.94A Resolution.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of X-Ray Structure of Homo Sapiens Fumarylacetoacetate Hydrolase Domain Containing Protein 1 (FAHD1) in Complex with Inhibitor Oxalate at 1.94A Resolution. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl303

b:26.5
occ:1.00
 O A:HOH464 3.2 27.1 1.0
O C:HOH452 3.3 24.1 1.0
N C:TRP119 3.3 22.9 1.0
N A:TRP119 3.4 25.4 1.0
CB C:PRO118 3.7 29.4 1.0
CA C:PRO118 3.7 27.0 1.0
CA A:PRO118 3.9 26.6 1.0
CB A:PRO118 3.9 26.8 1.0
C C:PRO118 4.0 24.1 1.0
C A:PRO118 4.1 26.4 1.0
CB A:TRP119 4.2 26.9 1.0
CB C:TRP119 4.3 23.0 1.0
CA A:TRP119 4.3 20.5 1.0
CA C:TRP119 4.3 24.1 1.0
N C:THR120 4.4 26.5 1.0
N A:THR120 4.5 19.6 1.0
O A:HOH401 4.5 30.1 1.0
OG1 C:THR120 4.5 31.4 1.0
OG1 A:THR120 4.6 20.3 1.0
C A:TRP119 4.7 17.9 1.0
C C:TRP119 4.7 24.9 1.0
CG A:TRP119 4.8 24.7 1.0
CG C:TRP119 4.8 25.4 1.0
CG C:PRO118 4.9 32.0 1.0
CB A:PHE45 4.9 22.6 1.0

Chlorine binding site 2 out of 4 in 6fog

Go back to Chlorine Binding Sites List in 6fog
Chlorine binding site 2 out of 4 in the X-Ray Structure of Homo Sapiens Fumarylacetoacetate Hydrolase Domain Containing Protein 1 (FAHD1) in Complex with Inhibitor Oxalate at 1.94A Resolution.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of X-Ray Structure of Homo Sapiens Fumarylacetoacetate Hydrolase Domain Containing Protein 1 (FAHD1) in Complex with Inhibitor Oxalate at 1.94A Resolution. within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Cl304

b:26.2
occ:1.00
 N H:TRP119 3.2 24.8 1.0
N F:TRP119 3.5 20.9 1.0
CB H:PRO118 3.7 24.6 1.0
CA H:PRO118 3.8 24.5 1.0
CB F:PRO118 3.9 24.4 1.0
CA F:PRO118 3.9 22.2 1.0
C H:PRO118 4.0 23.6 1.0
CA H:TRP119 4.1 24.6 1.0
CB H:TRP119 4.1 29.5 1.0
C F:PRO118 4.2 24.4 1.0
N H:THR120 4.2 23.8 1.0
OG1 H:THR120 4.4 26.9 1.0
CB F:TRP119 4.4 26.6 1.0
CA F:TRP119 4.4 24.6 1.0
C H:TRP119 4.5 23.6 1.0
N F:THR120 4.6 21.2 1.0
OG1 F:THR120 4.7 25.7 1.0
CG H:TRP119 4.8 27.0 1.0
C F:TRP119 4.9 24.8 1.0
CG H:PRO118 4.9 23.3 1.0
CG F:TRP119 4.9 27.4 1.0

Chlorine binding site 3 out of 4 in 6fog

Go back to Chlorine Binding Sites List in 6fog
Chlorine binding site 3 out of 4 in the X-Ray Structure of Homo Sapiens Fumarylacetoacetate Hydrolase Domain Containing Protein 1 (FAHD1) in Complex with Inhibitor Oxalate at 1.94A Resolution.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of X-Ray Structure of Homo Sapiens Fumarylacetoacetate Hydrolase Domain Containing Protein 1 (FAHD1) in Complex with Inhibitor Oxalate at 1.94A Resolution. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl303

b:29.3
occ:1.00
 N B:TRP119 3.2 25.0 1.0
O D:HOH461 3.3 30.1 1.0
N D:TRP119 3.4 18.3 1.0
O B:HOH460 3.4 34.4 1.0
CB D:PRO118 3.7 21.2 1.0
CA D:PRO118 3.7 20.6 1.0
O D:HOH481 3.7 37.0 1.0
CA B:PRO118 3.8 29.2 1.0
CB B:PRO118 3.8 28.8 1.0
C B:PRO118 4.0 31.3 1.0
O B:HOH454 4.0 42.1 1.0
C D:PRO118 4.0 16.7 1.0
CB B:TRP119 4.1 21.9 1.0
CA B:TRP119 4.1 22.8 1.0
N B:THR120 4.3 26.2 1.0
CB D:TRP119 4.3 23.1 1.0
CA D:TRP119 4.3 21.0 1.0
O D:HOH432 4.5 38.9 1.0
N D:THR120 4.5 22.5 1.0
OG1 B:THR120 4.5 23.0 1.0
C B:TRP119 4.6 24.0 1.0
OG1 D:THR120 4.6 30.0 1.0
CG B:TRP119 4.7 20.7 1.0
C D:TRP119 4.8 23.4 1.0
CG D:TRP119 4.9 24.5 1.0
CG D:PRO118 5.0 22.2 1.0
CG B:PRO118 5.0 27.4 1.0
CB B:PHE45 5.0 24.2 1.0

Chlorine binding site 4 out of 4 in 6fog

Go back to Chlorine Binding Sites List in 6fog
Chlorine binding site 4 out of 4 in the X-Ray Structure of Homo Sapiens Fumarylacetoacetate Hydrolase Domain Containing Protein 1 (FAHD1) in Complex with Inhibitor Oxalate at 1.94A Resolution.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of X-Ray Structure of Homo Sapiens Fumarylacetoacetate Hydrolase Domain Containing Protein 1 (FAHD1) in Complex with Inhibitor Oxalate at 1.94A Resolution. within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl303

b:28.3
occ:1.00
 O E:HOH431 2.9 22.7 1.0
O E:HOH470 3.3 28.9 1.0
N G:TRP119 3.3 20.5 1.0
N E:TRP119 3.3 24.0 1.0
O E:HOH476 3.6 64.1 1.0
CB E:PRO118 3.7 26.3 1.0
O G:HOH423 3.7 50.4 1.0
CA E:PRO118 3.8 24.6 1.0
CB G:PRO118 3.8 22.8 1.0
CA G:PRO118 3.9 22.2 1.0
C E:PRO118 4.1 22.2 1.0
C G:PRO118 4.1 21.4 1.0
CB G:TRP119 4.2 29.0 1.0
CA G:TRP119 4.2 23.1 1.0
CA E:TRP119 4.3 24.6 1.0
CB E:TRP119 4.3 27.3 1.0
N G:THR120 4.3 20.9 1.0
N E:THR120 4.4 21.0 1.0
OG1 G:THR120 4.4 22.6 1.0
OG1 E:THR120 4.5 20.2 1.0
C G:TRP119 4.6 19.0 1.0
C E:TRP119 4.7 21.4 1.0
CG G:TRP119 4.8 27.6 1.0
CG E:TRP119 4.9 27.3 1.0
CG E:PRO118 4.9 25.8 1.0
CB G:PHE45 5.0 27.2 1.0

Reference:

A.K.H.Weiss, A.Naschberger, J.R.Loeffler, H.Gstach, M.W.Bowler, M.Holzknecht, E.Cappuccio, A.Pittl, S.Etemad, T.Dunzendorfer-Matt, K.Scheffzek, K.R.Liedl, P.Jansen-Durr. Structural Basis For the Bi-Functionality of Human Oxaloacetate Decarboxylase FAHD1. Biochem. J. V. 475 3561 2018.
ISSN: ESSN 1470-8728
PubMed: 30348641
DOI: 10.1042/BCJ20180750
Page generated: Sat Jul 27 23:24:18 2024

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