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Chlorine in PDB 6nfp: 1.7 Angstrom Resolution Crystal Structure of Arginase From Bacillus Subtilis Subsp. Subtilis Str. 168

Enzymatic activity of 1.7 Angstrom Resolution Crystal Structure of Arginase From Bacillus Subtilis Subsp. Subtilis Str. 168

All present enzymatic activity of 1.7 Angstrom Resolution Crystal Structure of Arginase From Bacillus Subtilis Subsp. Subtilis Str. 168:
3.5.3.1;

Protein crystallography data

The structure of 1.7 Angstrom Resolution Crystal Structure of Arginase From Bacillus Subtilis Subsp. Subtilis Str. 168, PDB code: 6nfp was solved by G.Minasov, Z.Wawrzak, E.Evdokimova, S.Grimshaw, K.Kwon, A.Savchenko, K.J.F.Satchell, A.Joachimiak, Center For Structural Genomics Ofinfectious Diseases (Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.99 / 1.70
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 81.414, 143.989, 85.515, 90.00, 109.35, 90.00
R / Rfree (%) 13.9 / 16.6

Other elements in 6nfp:

The structure of 1.7 Angstrom Resolution Crystal Structure of Arginase From Bacillus Subtilis Subsp. Subtilis Str. 168 also contains other interesting chemical elements:

Magnesium (Mg) 12 atoms
Sodium (Na) 3 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the 1.7 Angstrom Resolution Crystal Structure of Arginase From Bacillus Subtilis Subsp. Subtilis Str. 168 (pdb code 6nfp). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 10 binding sites of Chlorine where determined in the 1.7 Angstrom Resolution Crystal Structure of Arginase From Bacillus Subtilis Subsp. Subtilis Str. 168, PDB code: 6nfp:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 10 in 6nfp

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Chlorine binding site 1 out of 10 in the 1.7 Angstrom Resolution Crystal Structure of Arginase From Bacillus Subtilis Subsp. Subtilis Str. 168


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of 1.7 Angstrom Resolution Crystal Structure of Arginase From Bacillus Subtilis Subsp. Subtilis Str. 168 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl301

b:38.3
occ:1.00
 O A:HOH565 2.9 35.4 1.0
N A:LEU128 3.1 29.2 1.0
O A:HOH526 3.1 28.3 1.0
N A:HIS149 3.6 25.9 1.0
CB A:LEU128 3.6 31.8 1.0
CB A:THR127 3.9 27.0 1.0
CA A:GLY148 3.9 25.3 1.0
OE1 A:GLU129 4.0 44.2 1.0
C A:GLY148 4.0 26.5 1.0
CA A:THR127 4.0 26.1 1.0
C A:THR127 4.0 27.7 1.0
CA A:LEU128 4.0 30.8 1.0
CA A:HIS149 4.3 27.1 1.0
CB A:HIS149 4.3 27.8 1.0
O A:HOH536 4.5 25.2 1.0
CD2 A:LEU63 4.6 30.8 1.0
CG2 A:THR127 4.7 27.6 1.0
CD1 A:LEU63 4.7 31.9 1.0
SD A:MET139 4.9 25.0 1.0
O A:GLY148 4.9 26.9 1.0
OG1 A:THR127 4.9 27.4 1.0
CD A:GLU129 5.0 48.1 1.0

Chlorine binding site 2 out of 10 in 6nfp

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Chlorine binding site 2 out of 10 in the 1.7 Angstrom Resolution Crystal Structure of Arginase From Bacillus Subtilis Subsp. Subtilis Str. 168


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of 1.7 Angstrom Resolution Crystal Structure of Arginase From Bacillus Subtilis Subsp. Subtilis Str. 168 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl302

b:45.9
occ:1.00
 O A:HOH558 2.9 32.9 0.5
N A:ASP13 2.9 22.4 1.0
O A:HOH472 3.3 40.6 1.0
O A:PRO11 3.6 24.1 1.0
CA A:MET12 3.6 23.0 1.0
C A:MET12 3.7 22.9 1.0
CD2 A:LEU14 3.8 25.7 1.0
CG2 A:ILE52 3.8 33.4 1.0
O A:ASP13 3.8 24.2 1.0
CA A:ASP13 3.9 21.7 1.0
CG A:LEU14 3.9 24.8 1.0
C A:ASP13 3.9 23.0 1.0
O A:HOH420 4.0 38.6 0.5
O A:HOH537 4.2 60.1 1.0
CB A:ASP13 4.2 22.4 1.0
O A:HOH531 4.4 37.5 1.0
CB A:ILE52 4.4 31.7 1.0
C A:PRO11 4.4 23.3 1.0
N A:MET12 4.5 22.7 1.0
CG A:MET12 4.6 24.5 1.0
CB A:ASP22 4.6 23.6 1.0
N A:LEU14 4.6 23.0 1.0
CD1 A:LEU14 4.6 26.6 1.0
CB A:MET12 4.6 24.0 1.0
O A:MET12 4.9 23.4 1.0
CG1 A:ILE52 5.0 29.6 1.0

Chlorine binding site 3 out of 10 in 6nfp

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Chlorine binding site 3 out of 10 in the 1.7 Angstrom Resolution Crystal Structure of Arginase From Bacillus Subtilis Subsp. Subtilis Str. 168


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of 1.7 Angstrom Resolution Crystal Structure of Arginase From Bacillus Subtilis Subsp. Subtilis Str. 168 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl303

b:76.1
occ:1.00
 O A:HOH582 3.5 39.3 1.0
O A:VAL190 3.6 27.4 1.0
CD A:LYS189 3.7 40.4 1.0
CE1 A:TYR191 3.8 26.2 1.0
O A:HOH454 4.0 47.7 1.0
NZ A:LYS189 4.0 47.4 1.0
CD1 A:TYR191 4.1 25.2 1.0
CZ A:TYR191 4.2 25.8 1.0
C A:VAL190 4.4 25.3 1.0
CE A:LYS189 4.5 45.6 1.0
OE1 A:GLU195 4.5 54.4 1.0
OH A:TYR191 4.5 28.4 1.0
CE2 A:TYR191 4.7 25.3 1.0
CG A:TYR191 4.7 23.9 1.0
O A:HOH453 4.7 29.9 0.5
N A:VAL190 4.7 24.5 1.0
CG A:GLU195 4.8 39.3 1.0
CG A:LYS189 4.9 33.8 1.0
CD2 A:TYR191 4.9 24.3 1.0

Chlorine binding site 4 out of 10 in 6nfp

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Chlorine binding site 4 out of 10 in the 1.7 Angstrom Resolution Crystal Structure of Arginase From Bacillus Subtilis Subsp. Subtilis Str. 168


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of 1.7 Angstrom Resolution Crystal Structure of Arginase From Bacillus Subtilis Subsp. Subtilis Str. 168 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl304

b:81.0
occ:1.00
 O A:ALA31 3.2 26.8 1.0
NE A:ARG36 3.7 41.8 1.0
NH2 A:ARG36 3.8 50.3 1.0
O A:HOH406 3.8 42.4 1.0
O A:HOH417 3.8 51.6 1.0
O A:HOH654 3.9 39.1 1.0
CG1 A:VAL284 4.1 23.8 1.0
CZ A:ARG36 4.2 49.0 1.0
C A:ALA31 4.3 25.7 1.0
CB A:VAL284 4.5 23.9 1.0
CB A:ALA31 4.5 24.6 1.0
OE2 A:GLU285 4.6 40.7 1.0
O A:LYS281 4.6 22.8 1.0
CG A:ARG36 4.6 32.1 1.0
CB A:LYS281 4.7 24.2 1.0
CG A:LYS281 4.7 27.8 1.0
CD A:ARG36 4.7 35.6 1.0
CA A:LYS281 4.7 22.6 1.0
CA A:ALA31 4.8 24.4 1.0
OE1 A:GLU288 4.9 29.4 1.0

Chlorine binding site 5 out of 10 in 6nfp

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Chlorine binding site 5 out of 10 in the 1.7 Angstrom Resolution Crystal Structure of Arginase From Bacillus Subtilis Subsp. Subtilis Str. 168


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of 1.7 Angstrom Resolution Crystal Structure of Arginase From Bacillus Subtilis Subsp. Subtilis Str. 168 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl301

b:43.2
occ:1.00
 O B:HOH599 2.9 41.0 1.0
N B:LEU128 3.0 31.8 1.0
O B:HOH565 3.2 29.8 1.0
O B:HOH642 3.4 43.9 0.7
CB B:LEU128 3.5 36.8 1.0
O B:HOH583 3.6 45.3 1.0
N B:HIS149 3.7 29.3 1.0
CB B:THR127 3.8 30.2 1.0
CA B:LEU128 3.9 34.4 1.0
C B:THR127 3.9 31.1 1.0
CA B:THR127 4.0 29.4 1.0
CA B:GLY148 4.0 29.0 1.0
O B:HOH642 4.0 33.4 0.3
C B:GLY148 4.1 29.0 1.0
CA B:HIS149 4.4 30.8 1.0
CB B:HIS149 4.4 30.1 1.0
CD2 B:LEU63 4.6 45.2 1.0
O B:HOH510 4.6 23.9 1.0
CG2 B:THR127 4.6 30.2 1.0
CD1 B:LEU63 4.8 47.0 1.0
SD B:MET139 4.8 28.1 1.0
OG1 B:THR127 4.9 29.9 1.0
CG B:LEU128 4.9 39.6 1.0
O B:GLY148 4.9 29.0 1.0

Chlorine binding site 6 out of 10 in 6nfp

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Chlorine binding site 6 out of 10 in the 1.7 Angstrom Resolution Crystal Structure of Arginase From Bacillus Subtilis Subsp. Subtilis Str. 168


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of 1.7 Angstrom Resolution Crystal Structure of Arginase From Bacillus Subtilis Subsp. Subtilis Str. 168 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl301

b:42.1
occ:1.00
 O C:HOH555 3.1 41.5 1.0
O C:HOH562 3.1 29.9 1.0
N C:LEU128 3.1 30.4 1.0
N2 C:URE310 3.1 75.9 1.0
N C:HIS149 3.6 26.9 1.0
CB C:LEU128 3.6 33.8 1.0
OE2 C:GLU129 3.6 43.2 0.7
CA C:GLY148 3.9 28.0 1.0
CB C:THR127 4.0 28.5 1.0
C C:GLY148 4.0 28.1 1.0
CA C:LEU128 4.0 32.8 1.0
C C:THR127 4.1 29.3 1.0
CA C:THR127 4.1 27.2 1.0
CB C:HIS149 4.2 28.1 1.0
C C:URE310 4.2 78.0 1.0
CA C:HIS149 4.2 27.9 1.0
CD2 C:LEU63 4.5 32.1 1.0
O C:HOH500 4.6 28.6 1.0
O C:URE310 4.6 78.9 1.0
CG2 C:THR127 4.7 29.0 1.0
CD C:GLU129 4.8 46.3 0.7
CD1 C:LEU63 4.8 34.2 1.0
SD C:MET139 4.8 26.9 1.0
O C:GLY148 4.9 28.7 1.0
CG C:LEU128 5.0 35.0 1.0
OG1 C:THR127 5.0 28.8 1.0

Chlorine binding site 7 out of 10 in 6nfp

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Chlorine binding site 7 out of 10 in the 1.7 Angstrom Resolution Crystal Structure of Arginase From Bacillus Subtilis Subsp. Subtilis Str. 168


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of 1.7 Angstrom Resolution Crystal Structure of Arginase From Bacillus Subtilis Subsp. Subtilis Str. 168 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl302

b:74.1
occ:1.00
 O2 C:GOA316 2.9 64.5 1.0
N C:GLU55 3.2 56.4 1.0
O C:GLU55 3.3 67.0 1.0
CA C:ARG54 3.6 48.3 1.0
C C:ARG54 3.9 52.5 1.0
CD2 C:LEU14 4.1 26.1 1.0
C C:GLU55 4.1 60.1 1.0
C2 C:GOA316 4.1 61.4 1.0
O C:ASN53 4.2 37.1 1.0
CA C:GLU55 4.2 59.9 1.0
CB C:ARG54 4.3 48.4 1.0
O C:HOH519 4.4 35.7 1.0
N C:ARG54 4.7 45.2 1.0
CG C:ARG54 4.7 48.9 1.0
ND2 C:ASN65 4.9 28.6 1.0
C C:ASN53 4.9 41.0 1.0
CB C:GLU55 5.0 58.1 1.0

Chlorine binding site 8 out of 10 in 6nfp

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Chlorine binding site 8 out of 10 in the 1.7 Angstrom Resolution Crystal Structure of Arginase From Bacillus Subtilis Subsp. Subtilis Str. 168


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of 1.7 Angstrom Resolution Crystal Structure of Arginase From Bacillus Subtilis Subsp. Subtilis Str. 168 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl303

b:83.5
occ:1.00
 O C:HOH415 3.3 46.7 1.0
O C:ALA31 3.3 25.9 1.0
O C:HOH640 3.8 41.4 1.0
N2 C:URE307 4.1 40.8 1.0
OE2 C:GLU285 4.1 36.9 1.0
NE C:ARG36 4.2 37.3 1.0
CG1 C:VAL284 4.2 24.3 1.0
CB C:LYS281 4.3 24.1 1.0
CG C:LYS281 4.3 28.4 1.0
O C:LYS281 4.4 22.6 1.0
CB C:ALA31 4.4 22.3 1.0
C C:ALA31 4.4 25.7 1.0
CA C:LYS281 4.4 23.6 1.0
CB C:VAL284 4.5 22.9 1.0
NH2 C:ARG36 4.6 49.8 1.0
CA C:ALA31 4.8 23.3 1.0
CD C:GLU285 4.8 34.4 1.0
CZ C:ARG36 4.9 42.4 1.0
C C:LYS281 4.9 22.1 1.0
CG C:GLU285 4.9 28.4 1.0
OE1 C:GLU288 4.9 29.5 1.0

Chlorine binding site 9 out of 10 in 6nfp

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Chlorine binding site 9 out of 10 in the 1.7 Angstrom Resolution Crystal Structure of Arginase From Bacillus Subtilis Subsp. Subtilis Str. 168


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of 1.7 Angstrom Resolution Crystal Structure of Arginase From Bacillus Subtilis Subsp. Subtilis Str. 168 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl301

b:43.9
occ:1.00
 O D:HOH566 2.9 42.9 1.0
N D:LEU128 3.0 34.9 1.0
O D:HOH531 3.1 33.3 1.0
O D:HOH578 3.5 41.7 1.0
CB D:LEU128 3.6 39.0 1.0
N D:HIS149 3.6 35.0 1.0
CB D:THR127 3.8 34.4 1.0
C D:THR127 3.9 34.7 1.0
CA D:LEU128 3.9 36.5 1.0
CA D:THR127 3.9 33.1 1.0
CA D:GLY148 3.9 32.3 1.0
C D:GLY148 4.0 34.5 1.0
CA D:HIS149 4.4 36.0 1.0
CB D:HIS149 4.5 37.3 1.0
CD2 D:LEU63 4.5 50.4 1.0
O D:HOH502 4.5 29.6 1.0
CG2 D:THR127 4.6 35.5 1.0
SD D:MET139 4.7 32.2 1.0
CD1 D:LEU63 4.7 51.0 1.0
OG1 D:THR127 4.9 34.7 1.0
O D:GLY148 4.9 35.3 1.0
CG D:LEU128 5.0 41.2 1.0

Chlorine binding site 10 out of 10 in 6nfp

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Chlorine binding site 10 out of 10 in the 1.7 Angstrom Resolution Crystal Structure of Arginase From Bacillus Subtilis Subsp. Subtilis Str. 168


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of 1.7 Angstrom Resolution Crystal Structure of Arginase From Bacillus Subtilis Subsp. Subtilis Str. 168 within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl301

b:80.0
occ:1.00
 OH E:TYR245 3.3 31.4 1.0
O A:HOH542 3.5 38.4 1.0
O A:VAL240 3.7 23.6 1.0
CG1 A:VAL240 3.9 26.7 1.0
CE2 E:TYR245 4.2 26.0 1.0
CZ E:TYR245 4.2 27.3 1.0
NE2 E:HIS249 4.2 31.9 1.0
CD2 E:LEU295 4.5 28.6 1.0
OE2 E:GLU285 4.5 30.6 0.5
C A:VAL240 4.6 23.1 1.0
CE1 E:HIS249 4.6 31.1 1.0
O A:ARG173 4.7 24.4 1.0
CB A:ARG173 4.7 22.9 1.0
CD2 E:HIS249 4.7 31.2 1.0
CD E:GLU285 4.9 30.8 0.5
CD A:ARG173 4.9 23.1 1.0
CG1 A:VAL239 4.9 24.1 1.0

Reference:

G.Minasov, Z.Wawrzak, E.Evdokimova, S.Grimshaw, K.Kwon, A.Savchenko, K.J.F.Satchell, A.Joachimiak, Center For Structural Genomics Of Infectious Diseases(Csgid). 1.7 Angstrom Resolution Crystal Structure of Arginase From Bacillus Subtilis Subsp. Subtilis Str. 168 To Be Published.
Page generated: Mon Jul 29 11:57:07 2024

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