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Chlorine in PDB 3oug: Crystal Structure of Cleaved L-Aspartate-Alpha-Decarboxylase From Francisella Tularensis

Enzymatic activity of Crystal Structure of Cleaved L-Aspartate-Alpha-Decarboxylase From Francisella Tularensis

All present enzymatic activity of Crystal Structure of Cleaved L-Aspartate-Alpha-Decarboxylase From Francisella Tularensis:
4.1.1.11;

Protein crystallography data

The structure of Crystal Structure of Cleaved L-Aspartate-Alpha-Decarboxylase From Francisella Tularensis, PDB code: 3oug was solved by B.Nocek, M.Gu, L.Papazisi, W.Anderson, A.Joachimiak, Center For Structuralgenomics Of Infectious Diseases (Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 28.66 / 1.55
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 79.934, 80.525, 85.025, 90.00, 104.33, 90.00
R / Rfree (%) 17.2 / 19.7

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Cleaved L-Aspartate-Alpha-Decarboxylase From Francisella Tularensis (pdb code 3oug). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 8 binding sites of Chlorine where determined in the Crystal Structure of Cleaved L-Aspartate-Alpha-Decarboxylase From Francisella Tularensis, PDB code: 3oug:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Chlorine binding site 1 out of 8 in 3oug

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Chlorine binding site 1 out of 8 in the Crystal Structure of Cleaved L-Aspartate-Alpha-Decarboxylase From Francisella Tularensis


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 Cleaved L-Aspartate-Alpha-Decarboxylase From Francisella Tularensis within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl201

b:22.3
occ:1.00
 O C:HOH318 2.9 45.0 1.0
NH2 C:ARG54 3.1 15.7 1.0
N A:SER25 3.2 31.8 1.0
N A:ALA75 3.3 14.9 1.0
NH1 C:ARG54 3.5 18.7 1.0
CD A:PRO74 3.6 18.1 1.0
O A:HOH235 3.6 33.2 1.0
CB A:ALA75 3.6 16.8 1.0
O A:ASN72 3.7 26.0 1.0
N A:PRO74 3.7 16.7 1.0
CZ C:ARG54 3.8 15.1 1.0
O C:HOH1097 3.9 52.3 1.0
CA A:ALA75 4.0 15.9 1.0
CB A:PRO74 4.1 14.9 1.0
CG2 C:VAL47 4.2 15.8 1.0
C A:PRO74 4.2 14.8 1.0
OG1 A:THR57 4.2 21.9 1.0
CA A:PRO74 4.2 15.3 1.0
CG A:PRO74 4.3 16.0 1.0
C A:GLY73 4.3 19.1 1.0
CA A:GLY73 4.5 21.4 1.0
CA A:SER25 4.5 30.4 1.0
CB C:VAL47 4.6 13.8 1.0
CG1 C:VAL47 4.7 16.4 1.0
C A:ASN72 4.8 25.8 1.0
CB A:THR57 4.9 19.6 1.0
CB A:SER25 5.0 30.9 1.0

Chlorine binding site 2 out of 8 in 3oug

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Chlorine binding site 2 out of 8 in the Crystal Structure of Cleaved L-Aspartate-Alpha-Decarboxylase From Francisella Tularensis


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 Cleaved L-Aspartate-Alpha-Decarboxylase From Francisella Tularensis within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl112

b:20.9
occ:1.00
 O B:HOH261 3.0 37.5 1.0
NH2 A:ARG54 3.1 15.4 1.0
N B:ALA75 3.3 16.5 1.0
NH1 A:ARG54 3.4 17.4 1.0
O B:HOH397 3.6 32.4 1.0
CD B:PRO74 3.6 18.3 1.0
CB B:ALA75 3.7 17.3 1.0
CZ A:ARG54 3.7 15.1 1.0
O B:ASN72 3.7 23.6 1.0
N B:PRO74 3.8 17.2 1.0
N B:SER25 3.9 32.2 1.0
CA B:ALA75 4.0 16.5 1.0
CB B:PRO74 4.1 16.1 1.0
C B:PRO74 4.2 16.3 1.0
CG2 A:VAL47 4.2 15.5 1.0
CA B:PRO74 4.2 16.4 1.0
OG1 B:THR57 4.2 23.9 1.0
CG B:PRO74 4.3 16.4 1.0
C B:GLY73 4.3 18.4 1.0
CA B:SER25 4.4 32.1 1.0
CA B:GLY73 4.6 20.8 1.0
CB A:VAL47 4.6 13.7 1.0
CG1 A:VAL47 4.7 15.1 1.0
C B:ASN72 4.8 22.8 1.0
CB B:THR57 4.9 20.5 1.0
NE A:ARG54 5.0 15.1 1.0

Chlorine binding site 3 out of 8 in 3oug

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Chlorine binding site 3 out of 8 in the Crystal Structure of Cleaved L-Aspartate-Alpha-Decarboxylase From Francisella Tularensis


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 Cleaved L-Aspartate-Alpha-Decarboxylase From Francisella Tularensis within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl201

b:22.1
occ:1.00
 O E:HOH368 2.9 35.8 1.0
NH2 B:ARG54 3.1 18.8 1.0
N E:ALA75 3.3 16.0 1.0
NH1 B:ARG54 3.5 20.4 1.0
CD E:PRO74 3.5 18.0 1.0
O E:HOH302 3.5 31.8 1.0
CB E:ALA75 3.6 17.0 1.0
N E:SER25 3.7 23.3 1.0
O E:ASN72 3.7 24.3 1.0
N E:PRO74 3.8 17.1 1.0
CZ B:ARG54 3.8 17.8 1.0
CA E:ALA75 4.1 15.8 1.0
CB E:PRO74 4.1 16.2 1.0
CG2 B:VAL47 4.1 14.4 1.0
OG1 E:THR57 4.2 22.0 1.0
C E:PRO74 4.2 15.5 1.0
CG E:PRO74 4.2 17.1 1.0
CA E:PRO74 4.3 16.4 1.0
C E:GLY73 4.3 19.0 1.0
CB B:VAL47 4.6 12.9 1.0
CA E:GLY73 4.6 21.6 1.0
CA E:SER25 4.7 21.1 1.0
CG1 B:VAL47 4.7 13.9 1.0
C E:ASN72 4.8 23.4 1.0
CB E:THR57 4.9 19.2 1.0
CD2 B:PHE86 5.0 23.8 1.0

Chlorine binding site 4 out of 8 in 3oug

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Chlorine binding site 4 out of 8 in the Crystal Structure of Cleaved L-Aspartate-Alpha-Decarboxylase From Francisella Tularensis


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 Cleaved L-Aspartate-Alpha-Decarboxylase From Francisella Tularensis within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl201

b:22.5
occ:1.00
 O C:HOH439 3.0 35.2 1.0
N C:SER25 3.1 25.7 1.0
NH2 E:ARG54 3.1 16.9 1.0
N C:ALA75 3.3 14.7 1.0
NH1 E:ARG54 3.4 19.9 1.0
O C:HOH192 3.6 32.0 1.0
CD C:PRO74 3.6 17.8 1.0
O C:ASN72 3.7 24.6 1.0
CB C:ALA75 3.7 16.8 1.0
CZ E:ARG54 3.7 17.6 1.0
N C:PRO74 3.7 16.6 1.0
CA C:ALA75 4.1 15.4 1.0
CG2 E:VAL47 4.1 12.8 1.0
CB C:PRO74 4.1 16.4 1.0
C C:PRO74 4.2 15.4 1.0
CG C:PRO74 4.2 16.7 1.0
OG1 C:THR57 4.2 22.8 1.0
CA C:PRO74 4.3 15.8 1.0
C C:GLY73 4.3 21.1 1.0
CA C:SER25 4.3 24.2 1.0
CB C:SER25 4.3 23.2 1.0
CA C:GLY73 4.5 23.1 1.0
CB E:VAL47 4.6 12.5 1.0
CG1 E:VAL47 4.7 12.8 1.0
C C:ASN72 4.8 23.8 1.0
CB C:THR57 4.9 20.8 1.0

Chlorine binding site 5 out of 8 in 3oug

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Chlorine binding site 5 out of 8 in the Crystal Structure of Cleaved L-Aspartate-Alpha-Decarboxylase From Francisella Tularensis


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 Cleaved L-Aspartate-Alpha-Decarboxylase From Francisella Tularensis within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Cl201

b:17.4
occ:1.00
 O I:HOH121 3.0 27.4 1.0
NH2 F:ARG54 3.2 13.8 1.0
N I:ALA75 3.3 13.6 1.0
NH1 F:ARG54 3.5 14.6 1.0
O I:HOH140 3.5 26.4 1.0
CD I:PRO74 3.6 15.0 1.0
CB I:ALA75 3.7 14.0 1.0
O I:ASN72 3.7 18.4 1.0
N I:PRO74 3.7 13.8 1.0
CZ F:ARG54 3.8 14.1 1.0
N I:SER25 3.9 24.4 1.0
O I:HOH1109 4.0 41.7 1.0
CA I:ALA75 4.1 13.5 1.0
CB I:PRO74 4.1 13.9 1.0
CG2 F:VAL47 4.1 12.6 1.0
C I:PRO74 4.2 13.4 1.0
OG1 I:THR57 4.2 15.8 1.0
CA I:PRO74 4.2 13.5 1.0
C I:GLY73 4.3 14.5 1.0
CG I:PRO74 4.3 14.1 1.0
CA I:GLY73 4.5 16.0 1.0
CB F:VAL47 4.6 12.3 1.0
CA I:SER25 4.6 22.8 1.0
CG1 F:VAL47 4.7 12.6 1.0
C I:ASN72 4.8 18.2 1.0
CB I:THR57 5.0 14.3 1.0

Chlorine binding site 6 out of 8 in 3oug

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Chlorine binding site 6 out of 8 in the Crystal Structure of Cleaved L-Aspartate-Alpha-Decarboxylase From Francisella Tularensis


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 Cleaved L-Aspartate-Alpha-Decarboxylase From Francisella Tularensis within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Cl201

b:17.5
occ:1.00
 O H:HOH960 3.0 28.3 1.0
NH2 G:ARG54 3.1 15.3 1.0
N H:ALA75 3.3 13.7 1.0
NH1 G:ARG54 3.4 16.9 1.0
O H:HOH1045 3.5 24.7 1.0
CB H:ALA75 3.7 14.3 1.0
CD H:PRO74 3.7 16.2 1.0
CZ G:ARG54 3.7 15.7 1.0
N H:PRO74 3.8 14.9 1.0
O H:ASN72 3.8 20.1 1.0
N H:SER25 3.9 25.0 1.0
CB H:PRO74 4.1 14.0 1.0
CA H:ALA75 4.1 13.6 1.0
O H:HOH689 4.1 44.8 1.0
CG2 G:VAL47 4.1 12.2 1.0
OG1 H:THR57 4.2 16.7 1.0
C H:PRO74 4.2 13.6 1.0
CG H:PRO74 4.3 15.9 1.0
CA H:PRO74 4.3 14.3 1.0
C H:GLY73 4.3 16.2 1.0
CA H:SER25 4.4 23.7 1.0
CB G:VAL47 4.6 11.9 1.0
CA H:GLY73 4.6 18.5 1.0
CG1 G:VAL47 4.7 12.2 1.0
C H:ASN72 4.9 20.0 1.0
CB H:THR57 4.9 13.3 1.0

Chlorine binding site 7 out of 8 in 3oug

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Chlorine binding site 7 out of 8 in the Crystal Structure of Cleaved L-Aspartate-Alpha-Decarboxylase From Francisella Tularensis


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 Cleaved L-Aspartate-Alpha-Decarboxylase From Francisella Tularensis within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Cl201

b:17.8
occ:1.00
 O H:HOH215 3.0 33.2 1.0
NH2 H:ARG54 3.1 13.8 1.0
N F:ALA75 3.3 13.4 1.0
NH1 H:ARG54 3.5 15.3 1.0
O F:HOH202 3.5 27.8 1.0
CD F:PRO74 3.6 15.3 1.0
CB F:ALA75 3.6 14.4 1.0
N F:PRO74 3.7 13.7 1.0
O F:ASN72 3.7 19.4 1.0
CZ H:ARG54 3.8 14.2 1.0
N F:SER25 3.8 25.3 1.0
O F:HOH628 4.0 41.9 1.0
CA F:ALA75 4.1 13.4 1.0
CG2 H:VAL47 4.1 12.5 1.0
CB F:PRO74 4.1 14.4 1.0
OG1 F:THR57 4.2 16.9 1.0
C F:PRO74 4.2 13.3 1.0
CA F:PRO74 4.2 13.7 1.0
CG F:PRO74 4.3 14.4 1.0
C F:GLY73 4.3 13.8 1.0
CA F:SER25 4.5 23.5 1.0
CA F:GLY73 4.5 16.4 1.0
CB H:VAL47 4.6 12.2 1.0
CG1 H:VAL47 4.7 12.5 1.0
C F:ASN72 4.8 18.8 1.0
CB F:THR57 5.0 13.8 1.0

Chlorine binding site 8 out of 8 in 3oug

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Chlorine binding site 8 out of 8 in the Crystal Structure of Cleaved L-Aspartate-Alpha-Decarboxylase From Francisella Tularensis


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 Cleaved L-Aspartate-Alpha-Decarboxylase From Francisella Tularensis within 5.0Å range:
probe atom residue distance (Å) B Occ
I:Cl201

b:17.6
occ:1.00
 O I:HOH181 3.0 31.8 1.0
NH2 I:ARG54 3.2 13.6 1.0
N G:ALA75 3.3 13.0 1.0
NH1 I:ARG54 3.4 14.4 1.0
O G:HOH208 3.5 28.9 1.0
CB G:ALA75 3.6 13.2 1.0
CD G:PRO74 3.7 13.9 1.0
O G:ASN72 3.7 18.6 1.0
CZ I:ARG54 3.7 14.0 1.0
N G:PRO74 3.8 13.0 1.0
N G:SER25 3.9 20.3 1.0
CA G:ALA75 4.1 13.4 1.0
CG2 I:VAL47 4.1 12.2 1.0
OG1 G:THR57 4.2 18.1 1.0
CB G:PRO74 4.2 13.1 1.0
C G:PRO74 4.2 12.8 1.0
CA G:PRO74 4.3 12.9 1.0
CG G:PRO74 4.3 13.6 1.0
C G:GLY73 4.3 13.4 1.0
O G:HOH568 4.4 45.3 1.0
CA G:SER25 4.4 17.8 1.0
CA G:GLY73 4.5 15.2 1.0
CB I:VAL47 4.6 11.9 1.0
CG1 I:VAL47 4.7 12.2 1.0
C G:ASN72 4.8 17.2 1.0
CB G:THR57 4.9 15.9 1.0

Reference:

B.Nocek, M.Gu, L.Papazisi, W.Anderson, A.Joachimiak. Crystal Structure of Cleaved L-Aspartate-Alpha-Decarboxylase From Francisella Tularensis To Be Published.
Page generated: Sun Jul 21 01:57:45 2024

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