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Chlorine in PDB 3l7l: Structure of the Wall Teichoic Acid Polymerase Tagf, H444N + Cdpg (30 Minute Soak)

Protein crystallography data

The structure of Structure of the Wall Teichoic Acid Polymerase Tagf, H444N + Cdpg (30 Minute Soak), PDB code: 3l7l was solved by A.L.Lovering, N.C.J.Strynadka, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.01 / 2.95
Space group P 41 21 2
Cell size a, b, c (Å), α, β, γ (°) 222.880, 222.880, 100.750, 90.00, 90.00, 90.00
R / Rfree (%) 19.3 / 25.4

Chlorine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 21;

Binding sites:

The binding sites of Chlorine atom in the Structure of the Wall Teichoic Acid Polymerase Tagf, H444N + Cdpg (30 Minute Soak) (pdb code 3l7l). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 21 binding sites of Chlorine where determined in the Structure of the Wall Teichoic Acid Polymerase Tagf, H444N + Cdpg (30 Minute Soak), PDB code: 3l7l:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 21 in 3l7l

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Chlorine binding site 1 out of 21 in the Structure of the Wall Teichoic Acid Polymerase Tagf, H444N + Cdpg (30 Minute Soak)


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 + Cdpg (30 Minute Soak) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl732

b:0.2
occ:1.00
CA A:ASN391 3.5 0.3 1.0
C A:ASN391 3.7 0.6 1.0
OD2 A:ASP393 3.7 0.9 1.0
CB A:ASN391 3.9 0.5 1.0
CD A:PRO392 3.9 77.5 1.0
N A:PRO392 3.9 77.2 1.0
N A:ASP393 3.9 0.9 1.0
OD1 A:ASN391 4.0 0.8 1.0
CB A:ASP393 4.2 0.5 1.0
O A:ASN391 4.2 1.0 1.0
CG A:ASN391 4.4 0.8 1.0
CG A:ASP393 4.5 0.5 1.0
CE A:LYS405 4.5 77.5 1.0
CD A:LYS405 4.6 80.8 1.0
CA A:ASP393 4.6 0.7 1.0
O A:LYS390 4.7 76.3 1.0
N A:ASN391 4.8 98.1 1.0
CA A:PRO392 4.9 81.9 1.0
C A:PRO392 4.9 80.6 1.0
NZ A:LYS405 4.9 79.3 1.0
CE A:LYS394 5.0 96.4 1.0

Chlorine binding site 2 out of 21 in 3l7l

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Chlorine binding site 2 out of 21 in the Structure of the Wall Teichoic Acid Polymerase Tagf, H444N + Cdpg (30 Minute Soak)


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 + Cdpg (30 Minute Soak) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl733

b:0.2
occ:1.00
N A:ARG426 3.5 70.9 1.0
CD A:ARG426 3.7 69.4 1.0
CH2 A:TRP443 3.8 67.9 1.0
CG A:ARG426 3.8 69.6 1.0
CB A:ALA425 3.9 68.0 1.0
CB A:ARG426 3.9 67.7 1.0
CZ3 A:TRP443 4.0 70.8 1.0
CA A:ALA425 4.2 68.1 1.0
CA A:ARG426 4.3 70.3 1.0
C A:ALA425 4.3 68.8 1.0
CZ2 A:TRP443 4.8 69.0 1.0

Chlorine binding site 3 out of 21 in 3l7l

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Chlorine binding site 3 out of 21 in the Structure of the Wall Teichoic Acid Polymerase Tagf, H444N + Cdpg (30 Minute Soak)


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 + Cdpg (30 Minute Soak) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl734

b:96.0
occ:1.00
ND2 A:ASN471 3.5 80.7 1.0
CD1 A:TYR468 4.2 74.4 1.0
CA A:TYR468 4.4 78.3 1.0
OG1 A:THR463 4.4 0.7 1.0
CB A:ASN471 4.5 77.5 1.0
CG A:ASN471 4.5 81.3 1.0
CG2 A:THR463 4.5 0.7 1.0
CB A:TYR468 4.6 75.6 1.0
CB A:THR463 4.7 0.0 1.0
CG A:TYR468 4.9 72.7 1.0
NH2 A:ARG426 4.9 68.8 1.0

Chlorine binding site 4 out of 21 in 3l7l

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Chlorine binding site 4 out of 21 in the Structure of the Wall Teichoic Acid Polymerase Tagf, H444N + Cdpg (30 Minute Soak)


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 + Cdpg (30 Minute Soak) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl735

b:94.1
occ:1.00
CB C:ALA313 3.4 88.0 1.0
N A:VAL316 3.5 84.4 1.0
CA A:LYS315 3.7 92.3 1.0
CG1 A:VAL316 3.8 87.2 1.0
CB A:LYS315 4.0 92.0 1.0
N C:ALA313 4.0 0.1 1.0
C A:LYS315 4.1 89.0 1.0
CA C:ALA313 4.2 0.5 1.0
CG A:LYS315 4.3 95.8 1.0
CG2 A:VAL316 4.4 82.2 1.0
CB A:VAL316 4.4 83.1 1.0
CA A:VAL316 4.5 82.0 1.0
N A:LYS315 4.9 94.4 1.0

Chlorine binding site 5 out of 21 in 3l7l

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Chlorine binding site 5 out of 21 in the Structure of the Wall Teichoic Acid Polymerase Tagf, H444N + Cdpg (30 Minute Soak)


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 + Cdpg (30 Minute Soak) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl736

b:0.3
occ:1.00
CD A:ARG478 3.2 78.4 1.0
NH2 A:ARG478 3.3 84.4 1.0
N A:LYS433 3.6 69.8 1.0
O A:LEU431 4.0 68.3 1.0
CB A:LYS433 4.1 73.4 1.0
NE A:ARG478 4.2 81.0 1.0
CZ A:ARG478 4.2 80.2 1.0
O A:LYS433 4.2 72.4 1.0
CA A:LYS433 4.3 69.7 1.0
CG A:ARG478 4.3 77.2 1.0
CA A:ASN432 4.5 73.3 1.0
C A:ASN432 4.5 73.4 1.0
C A:LYS433 4.6 71.7 1.0
O A:LEU429 4.9 67.4 1.0

Chlorine binding site 6 out of 21 in 3l7l

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Chlorine binding site 6 out of 21 in the Structure of the Wall Teichoic Acid Polymerase Tagf, H444N + Cdpg (30 Minute Soak)


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 + Cdpg (30 Minute Soak) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl737

b:0.8
occ:1.00
NE A:ARG697 3.6 95.4 1.0
CB A:TYR488 3.7 85.5 1.0
NH2 A:ARG697 3.8 89.9 1.0
N A:TYR488 4.1 86.5 1.0
CA A:TYR488 4.1 85.5 1.0
CZ A:ARG697 4.2 89.8 1.0
CB A:ARG487 4.4 0.3 1.0
CG A:ARG697 4.5 90.0 1.0
CG A:ARG487 4.6 0.7 1.0
CD A:ARG697 4.6 95.4 1.0
C A:ARG487 4.7 96.6 1.0
CG A:TYR488 4.8 82.7 1.0
O A:ARG697 5.0 85.9 1.0
CD1 A:TYR488 5.0 87.4 1.0

Chlorine binding site 7 out of 21 in 3l7l

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Chlorine binding site 7 out of 21 in the Structure of the Wall Teichoic Acid Polymerase Tagf, H444N + Cdpg (30 Minute Soak)


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 + Cdpg (30 Minute Soak) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl738

b:97.6
occ:1.00
CA A:GLU561 3.3 0.5 1.0
CB A:GLU561 3.4 0.3 1.0
CD2 A:LEU591 3.6 91.4 1.0
N A:LEU562 3.7 80.2 1.0
C A:GLU561 4.0 0.6 1.0
CG A:LEU562 4.1 70.9 1.0
CD1 A:LEU566 4.3 71.4 1.0
N A:GLU561 4.4 0.7 1.0
CD2 A:LEU562 4.5 70.7 1.0
O A:ASP592 4.5 1.0 1.0
CD1 A:LEU559 4.7 0.5 1.0
CG A:LEU566 4.8 71.4 1.0
CG A:GLU561 4.9 0.7 1.0
CA A:LEU562 4.9 79.8 1.0
CB A:LEU562 4.9 75.2 1.0
CD1 A:LEU562 4.9 72.0 1.0

Chlorine binding site 8 out of 21 in 3l7l

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Chlorine binding site 8 out of 21 in the Structure of the Wall Teichoic Acid Polymerase Tagf, H444N + Cdpg (30 Minute Soak)


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 + Cdpg (30 Minute Soak) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl739

b:88.9
occ:1.00
OD1 A:ASN444 3.3 70.6 1.0
O A:GLY445 3.4 70.0 1.0
NE1 A:TRP443 3.5 68.8 1.0
C A:GLY445 4.0 72.0 1.0
CA A:GLY445 4.2 70.1 1.0
CD1 A:TRP443 4.3 72.4 1.0
N A:GLY445 4.3 71.4 1.0
CA A:PRO447 4.3 72.0 1.0
CG A:ASN444 4.3 69.5 1.0
CE2 A:TRP443 4.5 72.6 1.0
CB A:SER625 4.6 80.5 1.0
N A:PRO447 4.6 73.0 1.0
C A:ASN444 4.6 71.5 1.0
CB A:PRO447 4.6 73.0 1.0
OG A:SER625 4.6 77.7 1.0
O A:THR446 4.6 72.9 1.0
CD2 A:LEU451 4.7 71.3 1.0
O A:ASN444 4.7 71.6 1.0
C A:THR446 4.7 73.8 1.0
O1 A:SO4731 4.7 0.2 1.0
O4 A:SO4731 4.9 0.2 1.0
CZ2 A:TRP443 4.9 69.0 1.0
ND2 A:ASN444 5.0 70.0 1.0

Chlorine binding site 9 out of 21 in 3l7l

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Chlorine binding site 9 out of 21 in the Structure of the Wall Teichoic Acid Polymerase Tagf, H444N + Cdpg (30 Minute Soak)


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 + Cdpg (30 Minute Soak) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl732

b:0.3
occ:1.00
N B:LYS353 3.2 81.9 1.0
CB B:LYS353 3.3 88.1 1.0
CG B:LYS353 3.4 87.1 1.0
N B:PRO352 3.7 83.8 1.0
CD B:PRO352 3.8 87.7 1.0
CA B:LYS353 3.9 81.9 1.0
CE B:LYS353 3.9 0.3 1.0
C B:LYS351 3.9 0.3 1.0
CD B:LYS353 3.9 93.3 1.0
CB B:LYS351 4.1 1.0 1.0
CB B:PRO352 4.2 93.3 1.0
C B:PRO352 4.2 85.3 1.0
CA B:LYS351 4.2 0.1 1.0
CA B:PRO352 4.3 86.0 1.0
CG B:PRO352 4.3 93.2 1.0
O B:LYS351 4.4 0.3 1.0
NZ B:LYS353 4.5 0.1 1.0
CG B:LYS351 4.7 0.4 1.0
C B:LYS353 5.0 80.8 1.0

Chlorine binding site 10 out of 21 in 3l7l

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Chlorine binding site 10 out of 21 in the Structure of the Wall Teichoic Acid Polymerase Tagf, H444N + Cdpg (30 Minute Soak)


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 + Cdpg (30 Minute Soak) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl733

b:0.3
occ:1.00
CB B:ASP393 3.4 0.7 1.0
OD2 B:ASP393 3.4 0.6 1.0
CG B:ASP393 3.4 0.8 1.0
N B:ASP393 3.4 0.5 1.0
OD1 B:ASN391 3.9 0.3 1.0
NZ B:LYS405 3.9 85.0 1.0
N B:PRO392 3.9 85.7 1.0
C B:ASN391 3.9 0.5 1.0
CA B:ASN391 4.0 0.6 1.0
CD B:PRO392 4.0 82.3 1.0
CA B:ASP393 4.0 0.3 1.0
OD1 B:ASP393 4.1 0.3 1.0
CB B:ASN391 4.2 0.6 1.0
CG B:ASN391 4.4 99.5 1.0
C B:PRO392 4.5 84.0 1.0
O B:ASN391 4.5 1.0 1.0
CE B:LYS405 4.6 80.5 1.0
CA B:PRO392 4.6 83.6 1.0
CB B:PRO392 4.9 82.0 1.0
CG B:PRO392 5.0 81.6 1.0
C B:ASP393 5.0 0.3 1.0

Reference:

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
Page generated: Sat Dec 12 09:52:43 2020

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