Atomistry » Chlorine » PDB 3u69-3ue4 » 3u7i
Atomistry »
  Chlorine »
    PDB 3u69-3ue4 »
      3u7i »

Chlorine in PDB 3u7i: The Crystal Structure of Fmn-Dependent Nadh-Azoreductase 1 (GBAA0966) From Bacillus Anthracis Str. Ames Ancestor

Protein crystallography data

The structure of The Crystal Structure of Fmn-Dependent Nadh-Azoreductase 1 (GBAA0966) From Bacillus Anthracis Str. Ames Ancestor, PDB code: 3u7i was solved by R.Zhang, M.Gu, K.Tan, K.Kwon, W.F.Anderson, A.Joachimiak, Center Forstructural Genomics Of Infectious Diseases (Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 30.92 / 1.75
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 102.802, 113.470, 91.115, 90.00, 90.31, 90.00
R / Rfree (%) 15.1 / 17.9

Chlorine Binding Sites:

The binding sites of Chlorine atom in the The Crystal Structure of Fmn-Dependent Nadh-Azoreductase 1 (GBAA0966) From Bacillus Anthracis Str. Ames Ancestor (pdb code 3u7i). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 7 binding sites of Chlorine where determined in the The Crystal Structure of Fmn-Dependent Nadh-Azoreductase 1 (GBAA0966) From Bacillus Anthracis Str. Ames Ancestor, PDB code: 3u7i:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7;

Chlorine binding site 1 out of 7 in 3u7i

Go back to Chlorine Binding Sites List in 3u7i
Chlorine binding site 1 out of 7 in the The Crystal Structure of Fmn-Dependent Nadh-Azoreductase 1 (GBAA0966) From Bacillus Anthracis Str. Ames Ancestor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of The Crystal Structure of Fmn-Dependent Nadh-Azoreductase 1 (GBAA0966) From Bacillus Anthracis Str. Ames Ancestor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl221

b:21.4
occ:1.00
 OG A:SER20 3.1 19.7 1.0
O2 A:GOL223 3.1 52.3 1.0
NE2 A:HIS10 3.3 17.1 1.0
OG A:SER18 3.3 27.0 1.0
O A:HOH554 3.4 33.2 1.0
N A:SER20 3.4 17.4 1.0
CB A:ALA146 3.4 15.0 1.0
CD2 A:HIS10 3.6 15.5 1.0
CB A:SER20 3.7 17.8 1.0
C2 A:GOL223 3.7 48.9 1.0
N A:VAL19 3.7 19.6 1.0
CB A:PRO100 3.9 18.9 1.0
CB A:SER18 4.0 21.7 1.0
O A:HOH666 4.1 29.2 1.0
CA A:SER20 4.1 15.8 1.0
C A:SER18 4.2 23.5 1.0
CA A:PRO100 4.3 18.7 1.0
CA A:SER18 4.3 24.0 1.0
CA A:VAL19 4.4 15.3 1.0
C A:VAL19 4.4 16.2 1.0
O3 A:GOL223 4.4 45.8 1.0
CB A:VAL19 4.4 16.4 1.0
O A:HOH330 4.5 30.2 1.0
CE1 A:HIS10 4.5 17.7 1.0
C1 A:GOL223 4.7 48.5 1.0
C3 A:GOL223 4.7 46.6 1.0
N A:PRO100 4.8 18.0 1.0
CA A:ALA146 4.8 16.0 1.0
CG A:PRO100 4.8 17.2 1.0
CG A:HIS10 4.9 15.0 1.0
N A:ILE21 5.0 13.5 1.0

Chlorine binding site 2 out of 7 in 3u7i

Go back to Chlorine Binding Sites List in 3u7i
Chlorine binding site 2 out of 7 in the The Crystal Structure of Fmn-Dependent Nadh-Azoreductase 1 (GBAA0966) From Bacillus Anthracis Str. Ames Ancestor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of The Crystal Structure of Fmn-Dependent Nadh-Azoreductase 1 (GBAA0966) From Bacillus Anthracis Str. Ames Ancestor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl222

b:32.3
occ:1.00
 O A:HOH290 3.1 26.1 1.0
O A:HOH271 3.1 24.9 1.0
O A:HOH432 3.1 39.8 1.0
CE1 A:HIS164 3.7 19.9 1.0
NZ A:LYS168 3.8 33.3 1.0
CD2 A:TYR179 3.9 21.1 1.0
CE2 A:TYR179 3.9 19.9 1.0
CD A:LYS168 4.2 22.8 1.0
CE A:LYS168 4.3 26.8 1.0
NE2 A:HIS164 4.3 21.2 1.0
CG2 A:ILE181 4.4 15.1 1.0
O A:TYR179 4.6 19.4 1.0
ND1 A:HIS164 4.7 21.0 1.0
N A:ILE181 4.9 17.2 1.0

Chlorine binding site 3 out of 7 in 3u7i

Go back to Chlorine Binding Sites List in 3u7i
Chlorine binding site 3 out of 7 in the The Crystal Structure of Fmn-Dependent Nadh-Azoreductase 1 (GBAA0966) From Bacillus Anthracis Str. Ames Ancestor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of The Crystal Structure of Fmn-Dependent Nadh-Azoreductase 1 (GBAA0966) From Bacillus Anthracis Str. Ames Ancestor within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl221

b:22.4
occ:1.00
 OG B:SER20 2.9 20.1 1.0
NE2 B:HIS10 3.1 20.4 1.0
OG B:SER18 3.3 28.2 1.0
N B:SER20 3.3 18.9 1.0
O B:HOH276 3.4 26.7 1.0
C1 B:GOL224 3.5 48.5 1.0
CD2 B:HIS10 3.6 18.3 1.0
N B:VAL19 3.7 21.4 1.0
CB B:ALA146 3.7 18.3 1.0
CB B:SER20 3.7 19.4 1.0
CB B:PRO100 3.9 18.1 1.0
O2 B:GOL224 3.9 51.4 1.0
CB B:SER18 3.9 25.2 1.0
O B:HOH290 4.0 23.5 1.0
CA B:SER20 4.1 19.6 1.0
C B:SER18 4.2 25.8 1.0
CA B:VAL19 4.3 19.1 1.0
C2 B:GOL224 4.3 51.4 1.0
C B:VAL19 4.3 20.4 1.0
CA B:PRO100 4.3 18.6 1.0
CE1 B:HIS10 4.3 18.0 1.0
CB B:VAL19 4.4 20.0 1.0
CA B:SER18 4.4 26.2 1.0
O B:HOH329 4.6 37.8 1.0
O1 B:GOL224 4.7 46.0 1.0
N B:PRO100 4.9 17.9 1.0
CG B:HIS10 4.9 17.8 1.0
N B:ILE21 4.9 18.2 1.0
CG B:PRO100 4.9 18.1 1.0
CA B:ALA146 5.0 17.8 1.0

Chlorine binding site 4 out of 7 in 3u7i

Go back to Chlorine Binding Sites List in 3u7i
Chlorine binding site 4 out of 7 in the The Crystal Structure of Fmn-Dependent Nadh-Azoreductase 1 (GBAA0966) From Bacillus Anthracis Str. Ames Ancestor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of The Crystal Structure of Fmn-Dependent Nadh-Azoreductase 1 (GBAA0966) From Bacillus Anthracis Str. Ames Ancestor within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl222

b:29.6
occ:1.00
 O B:HOH252 3.2 23.6 1.0
NZ B:LYS168 3.3 37.8 1.0
O B:HOH230 3.4 21.6 1.0
CE1 B:HIS164 3.7 18.0 1.0
CD2 B:TYR179 3.7 14.2 1.0
O B:HOH406 3.8 39.7 1.0
CE2 B:TYR179 3.8 15.2 1.0
CE B:LYS168 4.0 28.5 1.0
CD B:LYS168 4.1 20.0 1.0
CG2 B:ILE181 4.2 18.9 1.0
NE2 B:HIS164 4.3 16.8 1.0
O B:TYR179 4.5 16.9 1.0
ND1 B:HIS164 4.8 16.2 1.0
O B:HOH449 4.8 39.1 1.0
N B:ILE181 4.9 15.6 1.0
O B:HOH324 5.0 33.8 1.0
CG B:TYR179 5.0 15.3 1.0

Chlorine binding site 5 out of 7 in 3u7i

Go back to Chlorine Binding Sites List in 3u7i
Chlorine binding site 5 out of 7 in the The Crystal Structure of Fmn-Dependent Nadh-Azoreductase 1 (GBAA0966) From Bacillus Anthracis Str. Ames Ancestor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of The Crystal Structure of Fmn-Dependent Nadh-Azoreductase 1 (GBAA0966) From Bacillus Anthracis Str. Ames Ancestor within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl223

b:22.4
occ:1.00
 O B:HOH688 3.0 27.5 1.0
O B:HOH294 3.2 20.5 1.0
NZ B:LYS3 3.5 18.5 1.0
OE1 B:GLN87 3.5 28.6 1.0
CA B:GLN88 3.7 16.9 1.0
OG B:SER91 4.0 15.6 1.0
N B:GLN88 4.0 16.1 1.0
CB B:GLN88 4.1 16.0 1.0
CG B:GLN87 4.1 21.6 1.0
CD B:GLN87 4.3 26.4 1.0
OE1 B:GLU42 4.3 23.1 1.0
O B:HOH268 4.3 19.5 1.0
C B:GLN87 4.4 16.7 1.0
O B:GLN87 4.4 16.2 1.0
CB B:SER91 4.5 16.0 1.0
CG B:GLN88 4.7 16.1 1.0
C B:GLN88 4.9 15.3 1.0
CB B:GLN87 4.9 18.3 1.0
CE B:LYS3 4.9 16.4 1.0

Chlorine binding site 6 out of 7 in 3u7i

Go back to Chlorine Binding Sites List in 3u7i
Chlorine binding site 6 out of 7 in the The Crystal Structure of Fmn-Dependent Nadh-Azoreductase 1 (GBAA0966) From Bacillus Anthracis Str. Ames Ancestor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of The Crystal Structure of Fmn-Dependent Nadh-Azoreductase 1 (GBAA0966) From Bacillus Anthracis Str. Ames Ancestor within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl221

b:28.0
occ:1.00
 O C:HOH533 3.1 31.4 1.0
OG C:SER20 3.1 23.5 1.0
NE2 C:HIS10 3.2 25.8 1.0
N C:SER20 3.4 24.0 1.0
CB C:ALA146 3.6 21.2 1.0
CD2 C:HIS10 3.7 22.6 1.0
N C:VAL19 3.7 32.2 1.0
CB C:SER20 3.7 22.2 1.0
CB C:PRO100 4.0 23.4 1.0
CB C:SER18 4.0 37.2 1.0
CA C:SER20 4.2 21.5 1.0
C C:SER18 4.2 35.2 1.0
CA C:VAL19 4.3 31.6 1.0
C C:VAL19 4.3 27.8 1.0
CB C:VAL19 4.3 29.2 1.0
CA C:SER18 4.3 39.7 1.0
O C:HOH222 4.4 38.1 1.0
CE1 C:HIS10 4.4 26.0 1.0
CA C:PRO100 4.4 25.2 1.0
O C:HOH594 4.6 40.9 1.0
OG C:SER18 4.7 39.0 1.0
CG C:PRO100 4.8 23.2 1.0
N C:PRO100 4.9 22.8 1.0
CA C:ALA146 4.9 20.7 1.0
CG C:HIS10 5.0 22.2 1.0
N C:ILE21 5.0 25.3 1.0
O C:SER18 5.0 32.7 1.0

Chlorine binding site 7 out of 7 in 3u7i

Go back to Chlorine Binding Sites List in 3u7i
Chlorine binding site 7 out of 7 in the The Crystal Structure of Fmn-Dependent Nadh-Azoreductase 1 (GBAA0966) From Bacillus Anthracis Str. Ames Ancestor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of The Crystal Structure of Fmn-Dependent Nadh-Azoreductase 1 (GBAA0966) From Bacillus Anthracis Str. Ames Ancestor within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl221

b:23.4
occ:1.00
 O D:HOH252 3.1 27.7 1.0
OG D:SER20 3.2 20.1 1.0
NE2 D:HIS10 3.2 24.7 1.0
N D:SER20 3.4 22.2 1.0
CB D:ALA146 3.6 18.7 1.0
N D:VAL19 3.7 20.1 1.0
CD2 D:HIS10 3.7 20.4 1.0
CB D:SER20 3.8 21.2 1.0
CB D:PRO100 3.9 15.9 1.0
CB D:SER18 4.0 26.8 1.0
CA D:SER20 4.2 22.4 1.0
C D:SER18 4.2 24.4 1.0
O D:HOH739 4.2 32.8 1.0
O D:HOH320 4.3 35.0 1.0
CA D:VAL19 4.3 22.7 1.0
C D:VAL19 4.3 23.8 1.0
O D:HOH347 4.4 37.1 1.0
CA D:SER18 4.4 26.4 1.0
CA D:PRO100 4.4 15.9 1.0
CB D:VAL19 4.4 19.3 1.0
CE1 D:HIS10 4.4 21.9 1.0
OG D:SER18 4.5 27.7 1.0
N D:PRO100 4.9 16.6 1.0
CA D:ALA146 4.9 16.2 1.0
N D:ILE21 4.9 18.4 1.0
CG D:PRO100 5.0 16.5 1.0

Reference:

R.Zhang, M.Gu, K.Tan, K.Kwon, W.F.Anderson, A.Joachimiak. The Crystal Structure of Fmn-Dependent Nadh-Azoreductase 1 (GBAA0966) From Bacillus Anthracis Str. Ames Ancestor To Be Published.
Page generated: Sun Jul 21 05:52:57 2024

Last articles

Zn in 9JPJ
Zn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy