Chlorine in PDB 3l7j: Structure of the Wall Teichoic Acid Polymerase Tagf, H444N Variant

The structure of Structure of the Wall Teichoic Acid Polymerase Tagf, H444N Variant, PDB code: 3l7j was solved by N.C.J.Strynadka, A.L.Lovering, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.80 / 2.81
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	223.600, 223.600, 100.570, 90.00, 90.00, 90.00
R / Rfree (%)	19.7 / 24.6

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 30; Page 4, Binding sites: 31 - 32;

Binding sites:

The binding sites of Chlorine atom in the Structure of the Wall Teichoic Acid Polymerase Tagf, H444N Variant (pdb code 3l7j). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 32 binding sites of Chlorine where determined in the Structure of the Wall Teichoic Acid Polymerase Tagf, H444N Variant, PDB code: 3l7j:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 32 in the Structure of the Wall Teichoic Acid Polymerase Tagf, H444N Variant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of the Wall Teichoic Acid Polymerase Tagf, H444N Variant within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl733 b:97.7 occ:1.00 CG A:LYS353 3.2 90.2 1.0 CB A:LYS351 3.6 94.7 1.0 N A:LYS353 3.7 82.8 1.0 C A:LYS351 3.9 93.0 1.0 CD A:LYS353 4.0 95.5 1.0 CD A:PRO352 4.0 94.5 1.0 CA A:LYS351 4.0 93.9 1.0 N A:PRO352 4.0 90.3 1.0 CB A:LYS353 4.2 87.5 1.0 CE A:LYS353 4.4 99.1 1.0 CA A:LYS353 4.4 82.6 1.0 CG A:LYS351 4.4 95.8 1.0 O A:LYS351 4.5 90.1 1.0 CD A:LYS351 4.7 96.5 1.0 C A:PRO352 4.7 89.7 1.0 CA A:PRO352 4.8 90.2 1.0

Chlorine binding site 2 out of 32 in the Structure of the Wall Teichoic Acid Polymerase Tagf, H444N Variant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of the Wall Teichoic Acid Polymerase Tagf, H444N Variant within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl734 b:0.2 occ:1.00 CA A:ASN391 3.5 87.1 1.0 NZ A:LYS405 3.5 69.3 1.0 C A:ASN391 3.6 89.8 1.0 CD A:PRO392 3.6 63.1 1.0 N A:ASP393 3.7 0.7 1.0 N A:PRO392 3.7 64.6 1.0 CB A:ASN391 3.7 87.8 1.0 OD2 A:ASP393 3.8 0.8 1.0 OD1 A:ASN391 3.9 87.8 1.0 CB A:ASP393 4.0 0.3 1.0 CG A:ASP393 4.2 0.2 1.0 O A:ASN391 4.2 89.9 1.0 CG A:ASN391 4.3 86.2 1.0 CA A:ASP393 4.4 0.9 1.0 CD A:LYS405 4.5 66.6 1.0 CE A:LYS405 4.6 65.9 1.0 C A:PRO392 4.6 71.6 1.0 CA A:PRO392 4.6 67.0 1.0 O A:LYS390 4.8 87.1 1.0 N A:ASN391 4.8 82.3 1.0 CG A:PRO392 4.8 64.3 1.0

Chlorine binding site 3 out of 32 in the Structure of the Wall Teichoic Acid Polymerase Tagf, H444N Variant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structure of the Wall Teichoic Acid Polymerase Tagf, H444N Variant within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl735 b:98.5 occ:1.00 N A:ARG426 3.4 54.4 1.0 CG A:ARG426 3.6 56.0 1.0 CD A:ARG426 3.6 56.9 1.0 CB A:ARG426 3.8 55.9 1.0 CH2 A:TRP443 3.8 59.0 1.0 CB A:ALA425 3.8 55.6 1.0 CZ3 A:TRP443 3.9 58.8 1.0 CA A:ALA425 4.1 53.0 1.0 CA A:ARG426 4.2 55.6 1.0 C A:ALA425 4.3 54.0 1.0 O A:ARG426 4.8 56.3 1.0 CZ2 A:TRP443 5.0 59.1 1.0 NE A:ARG426 5.0 58.9 1.0

Chlorine binding site 4 out of 32 in the Structure of the Wall Teichoic Acid Polymerase Tagf, H444N Variant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Structure of the Wall Teichoic Acid Polymerase Tagf, H444N Variant within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl736 b:82.0 occ:1.00 OD1 A:ASN444 3.4 54.5 1.0 O A:GLY445 3.5 63.9 1.0 NE1 A:TRP443 3.6 59.1 1.0 C A:GLY445 4.2 63.4 1.0 CA A:PRO447 4.2 55.6 1.0 CD1 A:TRP443 4.3 59.1 1.0 O A:HOH744 4.4 45.6 1.0 O A:THR446 4.5 66.0 1.0 CE2 A:TRP443 4.5 58.8 1.0 CG A:ASN444 4.5 54.9 1.0 CA A:GLY445 4.5 62.0 1.0 CB A:PRO447 4.6 57.9 1.0 N A:PRO447 4.6 59.0 1.0 N A:GLY445 4.6 61.7 1.0 O A:ASN444 4.6 54.9 1.0 C A:THR446 4.6 66.8 1.0 CD2 A:LEU451 4.6 57.8 1.0 CB A:SER625 4.7 69.0 1.0 C A:ASN444 4.7 55.6 1.0 OG A:SER625 4.7 67.7 1.0 CZ2 A:TRP443 4.8 59.1 1.0 O3 A:SO4732 4.9 0.8 1.0

Chlorine binding site 5 out of 32 in the Structure of the Wall Teichoic Acid Polymerase Tagf, H444N Variant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Structure of the Wall Teichoic Acid Polymerase Tagf, H444N Variant within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl737 b:93.8 occ:1.00 ND2 A:ASN328 3.4 61.8 1.0 CD A:ARG324 3.8 82.6 1.0 CG A:ARG324 3.9 84.8 1.0 ND2 A:ASN335 4.1 62.6 1.0 NE A:ARG324 4.2 81.3 1.0 CB A:ASN335 4.3 64.9 1.0 CG A:ASN328 4.5 59.0 1.0 CB A:SER339 4.6 59.0 1.0 CG A:ASN335 4.6 63.1 1.0 O A:ASN335 4.7 65.4 1.0 OD1 A:ASN328 4.7 59.9 1.0 OG A:SER339 4.9 58.4 1.0

Chlorine binding site 6 out of 32 in the Structure of the Wall Teichoic Acid Polymerase Tagf, H444N Variant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Structure of the Wall Teichoic Acid Polymerase Tagf, H444N Variant within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl738 b:98.6 occ:1.00 ND2 A:ASN471 3.4 66.0 1.0 CD1 A:TYR468 4.1 60.7 1.0 OG1 A:THR463 4.2 0.6 1.0 CG A:ASN471 4.4 67.2 1.0 CA A:TYR468 4.5 67.9 1.0 CG2 A:THR463 4.5 98.5 1.0 CB A:ASN471 4.5 65.0 1.0 CB A:THR463 4.5 0.1 1.0 CB A:TYR468 4.8 65.6 1.0 CE1 A:TYR468 4.9 58.9 1.0 CG A:TYR468 4.9 63.2 1.0 O A:LYS467 5.0 86.3 1.0

Chlorine binding site 7 out of 32 in the Structure of the Wall Teichoic Acid Polymerase Tagf, H444N Variant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Structure of the Wall Teichoic Acid Polymerase Tagf, H444N Variant within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl739 b:69.0 occ:1.00 N A:VAL316 3.3 66.4 1.0 N C:ALA313 3.6 0.1 1.0 CG1 A:VAL316 3.6 68.6 1.0 CB C:ALA313 3.6 73.3 1.0 CA A:LYS315 3.7 85.0 1.0 C A:LYS315 4.0 82.8 1.0 CA C:ALA313 4.1 1.0 1.0 CB A:LYS315 4.1 84.0 1.0 CA A:VAL316 4.4 64.7 1.0 CB A:VAL316 4.4 65.2 1.0 CG A:LYS315 4.5 86.4 1.0 CG2 A:VAL316 4.8 63.5 1.0 O A:PHE314 4.9 0.2 1.0 N A:LYS315 4.9 87.5 1.0

Chlorine binding site 8 out of 32 in the Structure of the Wall Teichoic Acid Polymerase Tagf, H444N Variant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Structure of the Wall Teichoic Acid Polymerase Tagf, H444N Variant within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl740 b:95.6 occ:1.00 CD A:ARG478 3.3 72.6 1.0 NH2 A:ARG478 3.4 69.4 1.0 N A:LYS433 3.5 55.0 1.0 O A:LEU431 4.0 55.2 1.0 O A:LYS433 4.1 59.3 1.0 CA A:ASN432 4.3 63.3 1.0 NE A:ARG478 4.3 67.9 1.0 CB A:LYS433 4.3 55.7 1.0 CG A:ARG478 4.3 72.9 1.0 CZ A:ARG478 4.3 67.2 1.0 CA A:LYS433 4.3 56.4 1.0 C A:ASN432 4.4 64.0 1.0 C A:LYS433 4.6 58.8 1.0 O A:LEU429 5.0 63.4 1.0 C A:LEU431 5.0 54.2 1.0

Chlorine binding site 9 out of 32 in the Structure of the Wall Teichoic Acid Polymerase Tagf, H444N Variant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Structure of the Wall Teichoic Acid Polymerase Tagf, H444N Variant within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl741 b:91.4 occ:1.00 NE A:ARG697 3.3 85.2 1.0 NH2 A:ARG697 3.6 87.1 1.0 CB A:TYR488 3.9 73.2 1.0 CZ A:ARG697 3.9 87.5 1.0 CG A:ARG697 4.2 84.1 1.0 CD A:ARG697 4.3 85.7 1.0 CA A:TYR488 4.3 74.1 1.0 N A:TYR488 4.5 76.1 1.0 CD1 A:TYR488 4.8 72.4 1.0 CG A:TYR488 4.9 69.7 1.0

Chlorine binding site 10 out of 32 in the Structure of the Wall Teichoic Acid Polymerase Tagf, H444N Variant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Structure of the Wall Teichoic Acid Polymerase Tagf, H444N Variant within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl742 b:95.4 occ:1.00 CB A:GLU561 3.2 0.3 1.0 CA A:GLU561 3.4 0.7 1.0 N A:LEU562 3.5 68.6 1.0 CG A:LEU562 3.9 63.5 1.0 CD1 A:LEU566 3.9 63.9 1.0 C A:GLU561 4.0 0.6 1.0 CD2 A:LEU591 4.3 95.5 1.0 CG A:LEU566 4.4 64.4 1.0 CB A:LEU562 4.5 64.8 1.0 CD1 A:LEU562 4.5 62.3 1.0 CA A:LEU562 4.6 66.6 1.0 OE1 A:GLU561 4.6 0.8 1.0 CG A:GLU561 4.6 0.9 1.0 N A:GLU561 4.7 0.6 1.0 CB A:LEU566 4.8 65.7 1.0 CD2 A:LEU562 4.8 62.5 1.0 O A:ASP592 5.0 96.9 1.0

A.L.Lovering, L.Y.Lin, E.W.Sewell, T.Spreter, E.D.Brown, N.C.Strynadka. Structure of the Bacterial Teichoic Acid Polymerase Tagf Provides Insights Into Membrane Association and Catalysis. Nat.Struct.Mol.Biol. V. 17 582 2010.
ISSN: ISSN 1545-9993
PubMed: 20400947
DOI: 10.1038/NSMB.1819