Atomistry » Chlorine » PDB 3rv4-3s8n » 3rxy
Atomistry »
  Chlorine »
    PDB 3rv4-3s8n »
      3rxy »

Chlorine in PDB 3rxy: Crystal Structure of NIF3 Superfamily Protein From Sphaerobacter Thermophilus

Protein crystallography data

The structure of Crystal Structure of NIF3 Superfamily Protein From Sphaerobacter Thermophilus, PDB code: 3rxy was solved by K.Michalska, C.Tesar, S.Clancy, Z.Otwinowski, A.Joachimiak, Midwest Centerfor Structural Genomics (Mcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 38.37 / 2.00
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 187.770, 96.483, 128.470, 90.00, 115.28, 90.00
R / Rfree (%) 20.9 / 23.2

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of NIF3 Superfamily Protein From Sphaerobacter Thermophilus (pdb code 3rxy). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 7 binding sites of Chlorine where determined in the Crystal Structure of NIF3 Superfamily Protein From Sphaerobacter Thermophilus, PDB code: 3rxy:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7;

Chlorine binding site 1 out of 7 in 3rxy

Go back to Chlorine Binding Sites List in 3rxy
Chlorine binding site 1 out of 7 in the Crystal Structure of NIF3 Superfamily Protein From Sphaerobacter Thermophilus


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 NIF3 Superfamily Protein From Sphaerobacter Thermophilus within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl277

b:41.4
occ:1.00
N A:ASN204 3.3 21.9 1.0
ND2 A:ASN204 3.3 20.7 1.0
OG1 A:THR203 3.4 34.5 1.0
CD2 A:HIS225 3.6 28.7 1.0
CB A:ASN204 3.7 19.6 1.0
CB A:HIS225 3.7 21.1 1.0
CG A:ASN204 4.0 25.5 1.0
CA A:THR203 4.0 22.0 1.0
CG A:HIS225 4.0 25.9 1.0
C A:THR203 4.1 26.1 1.0
CA A:ASN204 4.1 22.1 1.0
O A:HOH723 4.1 29.5 1.0
CG1 A:ILE224 4.1 19.4 1.0
O A:HIS225 4.2 22.6 1.0
CB A:THR203 4.4 28.3 1.0
O A:HOH286 4.5 15.8 1.0
CD1 A:ILE224 4.6 21.5 1.0
O A:HOH595 4.6 27.5 1.0
N A:HIS225 4.6 21.1 1.0
CA A:HIS225 4.6 19.9 1.0
C A:HIS225 4.6 25.9 1.0
NE2 A:HIS225 4.9 29.0 1.0

Chlorine binding site 2 out of 7 in 3rxy

Go back to Chlorine Binding Sites List in 3rxy
Chlorine binding site 2 out of 7 in the Crystal Structure of NIF3 Superfamily Protein From Sphaerobacter Thermophilus


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 NIF3 Superfamily Protein From Sphaerobacter Thermophilus within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl800

b:46.2
occ:1.00
O B:HOH406 3.3 26.3 1.0
O B:HOH685 3.3 27.5 1.0
NE2 B:GLN260 3.4 52.3 1.0
CG B:GLN260 3.6 46.4 1.0
O B:HOH457 3.8 35.1 1.0
CD B:GLN260 4.0 64.2 1.0
NH2 B:ARG271 4.5 31.5 1.0
OE1 B:GLU263 4.6 47.7 1.0

Chlorine binding site 3 out of 7 in 3rxy

Go back to Chlorine Binding Sites List in 3rxy
Chlorine binding site 3 out of 7 in the Crystal Structure of NIF3 Superfamily Protein From Sphaerobacter Thermophilus


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 NIF3 Superfamily Protein From Sphaerobacter Thermophilus within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl279

b:42.6
occ:1.00
N B:ASN204 3.3 23.2 1.0
ND2 B:ASN204 3.3 22.6 1.0
OG1 B:THR203 3.5 28.8 1.0
O B:HOH503 3.6 28.8 1.0
CD2 B:HIS225 3.8 27.7 1.0
CB B:HIS225 3.9 21.6 1.0
CB B:ASN204 3.9 23.6 1.0
CA B:THR203 3.9 24.9 1.0
C B:THR203 4.0 27.7 1.0
CG1 B:ILE224 4.0 21.8 1.0
CG B:ASN204 4.1 31.5 1.0
CA B:ASN204 4.2 22.7 1.0
CG B:HIS225 4.2 25.3 1.0
CD1 B:ILE224 4.3 20.1 1.0
CB B:THR203 4.3 27.7 1.0
O B:HOH305 4.5 28.0 1.0
O B:HOH288 4.5 17.4 1.0
O B:HIS225 4.6 19.6 1.0
N B:HIS225 4.8 22.0 1.0
CA B:HIS225 4.8 21.0 1.0
C B:HIS225 4.9 22.2 1.0

Chlorine binding site 4 out of 7 in 3rxy

Go back to Chlorine Binding Sites List in 3rxy
Chlorine binding site 4 out of 7 in the Crystal Structure of NIF3 Superfamily Protein From Sphaerobacter Thermophilus


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 NIF3 Superfamily Protein From Sphaerobacter Thermophilus within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl278

b:34.9
occ:1.00
N C:ASN204 3.2 18.6 1.0
O C:HOH296 3.3 21.8 1.0
ND2 C:ASN204 3.5 22.9 1.0
CE1 C:HIS247 3.7 37.9 1.0
OG1 C:THR203 3.7 26.5 1.0
CB C:HIS225 3.8 20.2 1.0
CA C:THR203 3.8 18.1 1.0
C C:THR203 3.9 20.3 1.0
CB C:ASN204 4.0 22.9 1.0
CD2 C:HIS225 4.0 25.8 1.0
CG1 C:ILE224 4.0 20.3 1.0
ND1 C:HIS247 4.1 37.4 1.0
CA C:ASN204 4.2 19.8 1.0
CD1 C:ILE224 4.3 24.0 1.0
CG C:ASN204 4.3 29.1 1.0
CG C:HIS225 4.3 24.0 1.0
CB C:THR203 4.4 22.8 1.0
O C:HOH301 4.5 18.1 1.0
O C:HOH300 4.6 21.3 1.0
O C:HIS225 4.7 19.8 1.0
N C:HIS225 4.7 20.4 1.0
NE2 C:HIS247 4.8 38.1 1.0
CA C:HIS225 4.8 19.5 1.0
C C:HIS225 5.0 21.5 1.0
O C:HOH383 5.0 26.2 1.0

Chlorine binding site 5 out of 7 in 3rxy

Go back to Chlorine Binding Sites List in 3rxy
Chlorine binding site 5 out of 7 in the Crystal Structure of NIF3 Superfamily Protein From Sphaerobacter Thermophilus


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 NIF3 Superfamily Protein From Sphaerobacter Thermophilus within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl277

b:39.5
occ:1.00
N D:ASN204 3.3 20.3 1.0
ND2 D:ASN204 3.4 19.1 1.0
OG1 D:THR203 3.4 25.7 1.0
CB D:HIS225 3.8 22.8 1.0
CD2 D:HIS225 3.8 28.3 1.0
CB D:ASN204 3.8 22.7 1.0
CA D:THR203 4.0 21.2 1.0
CG D:ASN204 4.1 20.2 1.0
C D:THR203 4.1 23.9 1.0
CG D:HIS225 4.2 26.5 1.0
CG1 D:ILE224 4.2 22.0 1.0
CA D:ASN204 4.2 21.0 1.0
CB D:THR203 4.3 31.3 1.0
CD1 D:ILE224 4.4 16.1 1.0
O D:HIS225 4.5 20.5 1.0
CA D:HIS225 4.7 22.6 1.0
N D:HIS225 4.7 23.7 1.0
O D:HOH312 4.7 18.1 1.0
C D:HIS225 4.8 23.8 1.0

Chlorine binding site 6 out of 7 in 3rxy

Go back to Chlorine Binding Sites List in 3rxy
Chlorine binding site 6 out of 7 in the Crystal Structure of NIF3 Superfamily Protein From Sphaerobacter Thermophilus


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 NIF3 Superfamily Protein From Sphaerobacter Thermophilus within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl277

b:41.6
occ:1.00
ND2 E:ASN204 3.1 16.4 1.0
N E:ASN204 3.2 18.6 1.0
OG1 E:THR203 3.5 22.9 1.0
CB E:ASN204 3.7 21.7 1.0
CB E:HIS225 3.8 18.6 1.0
CG E:ASN204 3.9 21.3 1.0
CD2 E:HIS225 3.9 24.0 1.0
CG1 E:ILE224 4.0 17.4 1.0
CA E:THR203 4.0 18.5 1.0
C E:THR203 4.0 22.4 1.0
CA E:ASN204 4.0 19.3 1.0
CG E:HIS225 4.3 22.6 1.0
CB E:THR203 4.4 21.5 1.0
O E:HIS225 4.4 18.6 1.0
O E:HOH329 4.5 20.3 1.0
CD1 E:ILE224 4.6 18.6 1.0
O E:HOH336 4.6 21.7 1.0
N E:HIS225 4.6 20.9 1.0
CA E:HIS225 4.7 18.4 1.0
C E:HIS225 4.8 22.8 1.0
O E:HOH549 4.9 30.3 1.0

Chlorine binding site 7 out of 7 in 3rxy

Go back to Chlorine Binding Sites List in 3rxy
Chlorine binding site 7 out of 7 in the Crystal Structure of NIF3 Superfamily Protein From Sphaerobacter Thermophilus


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 NIF3 Superfamily Protein From Sphaerobacter Thermophilus within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Cl277

b:33.9
occ:1.00
N F:ASN204 3.3 17.8 1.0
ND2 F:ASN204 3.3 17.7 1.0
O F:HOH291 3.6 16.5 1.0
OG1 F:THR203 3.7 26.5 1.0
CB F:HIS225 3.8 18.5 1.0
CA F:THR203 3.9 17.3 1.0
CB F:ASN204 3.9 21.4 1.0
CD2 F:HIS225 4.0 23.1 1.0
C F:THR203 4.0 19.3 1.0
CG1 F:ILE224 4.0 16.0 1.0
CE1 F:HIS247 4.1 35.5 1.0
CG F:ASN204 4.1 30.2 1.0
O F:HOH461 4.2 28.4 1.0
CA F:ASN204 4.2 17.3 1.0
ND1 F:HIS247 4.2 33.7 1.0
CG F:HIS225 4.3 21.9 1.0
CD1 F:ILE224 4.3 20.0 1.0
O F:HIS225 4.4 18.3 1.0
CB F:THR203 4.5 23.9 1.0
O F:HOH303 4.5 15.2 1.0
N F:HIS225 4.7 18.4 1.0
O F:HOH304 4.7 18.8 1.0
CA F:HIS225 4.7 17.9 1.0
C F:HIS225 4.8 20.9 1.0
O F:HOH347 5.0 26.5 1.0

Reference:

K.Michalska, C.Tesar, S.Clancy, Z.Otwinowski, A.Joachimiak. Crystal Structure of NIF3 Superfamily Protein From Sphaerobacter Thermophilus To Be Published.
Page generated: Fri Jul 11 10:02:58 2025

Last articles

Cl in 4DQ9
Cl in 4DR8
Cl in 4DRT
Cl in 4DPH
Cl in 4DOC
Cl in 4DQ6
Cl in 4DPE
Cl in 4DOJ
Cl in 4DOB
Cl in 4DOA
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy