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Chlorine in PDB 4lxq: Crystal Structure Wlard, A Sugar 3N-Formyl Transferase in the Presence of Dtdp and 5-N-Formyl-Thf

Protein crystallography data

The structure of Crystal Structure Wlard, A Sugar 3N-Formyl Transferase in the Presence of Dtdp and 5-N-Formyl-Thf, PDB code: 4lxq was solved by J.B.Thoden, M.-F.Goneau, M.Gilbert, H.M.Holden, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 30.00 / 1.40
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 97.861, 63.259, 136.212, 90.00, 110.04, 90.00
R / Rfree (%) 15.8 / 17.8

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure Wlard, A Sugar 3N-Formyl Transferase in the Presence of Dtdp and 5-N-Formyl-Thf (pdb code 4lxq). 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 Wlard, A Sugar 3N-Formyl Transferase in the Presence of Dtdp and 5-N-Formyl-Thf, PDB code: 4lxq:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7;

Chlorine binding site 1 out of 7 in 4lxq

Go back to Chlorine Binding Sites List in 4lxq
Chlorine binding site 1 out of 7 in the Crystal Structure Wlard, A Sugar 3N-Formyl Transferase in the Presence of Dtdp and 5-N-Formyl-Thf


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure Wlard, A Sugar 3N-Formyl Transferase in the Presence of Dtdp and 5-N-Formyl-Thf within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl308

b:18.8
occ:1.00
 O A:HOH589 3.1 31.6 1.0
O A:HOH540 3.1 20.5 1.0
O A:HOH442 3.2 14.5 1.0
N A:THR183 3.3 13.1 1.0
CA A:GLN182 3.7 11.3 1.0
CD A:PRO101 3.7 10.5 1.0
OG1 A:THR183 3.8 13.3 1.0
CG2 A:THR183 3.9 17.0 1.0
C A:GLN182 4.0 11.9 1.0
CD1 A:ILE136 4.1 11.7 1.0
CB A:THR183 4.2 14.2 1.0
CG A:PRO101 4.2 10.9 1.0
CB A:GLN182 4.3 10.0 1.0
O A:LYS181 4.3 14.3 1.0
CA A:THR183 4.4 13.4 1.0
CG A:GLN182 4.5 10.7 1.0
N A:PRO101 4.7 9.1 1.0
CB A:PRO101 4.7 9.5 1.0
O A:HOH488 4.7 16.1 1.0
O A:HOH556 4.7 22.5 1.0
O A:HOH718 4.8 18.4 1.0
O A:LEU100 4.8 8.7 1.0
N A:GLN182 4.8 11.1 1.0
O A:HOH840 4.9 24.6 1.0
C A:LYS181 5.0 11.7 1.0

Chlorine binding site 2 out of 7 in 4lxq

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Chlorine binding site 2 out of 7 in the Crystal Structure Wlard, A Sugar 3N-Formyl Transferase in the Presence of Dtdp and 5-N-Formyl-Thf


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure Wlard, A Sugar 3N-Formyl Transferase in the Presence of Dtdp and 5-N-Formyl-Thf within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl309

b:20.9
occ:1.00
 OH A:TYR66 2.7 16.6 1.0
O A:HOH684 3.0 35.5 1.0
N A:LYS83 3.2 11.1 1.0
ND2 A:ASN86 3.2 14.8 1.0
CA A:ILE82 3.4 10.8 1.0
CZ A:TYR66 3.5 11.9 1.0
CE1 A:TYR66 3.6 11.1 1.0
CB A:ILE82 3.6 11.9 1.0
C A:ILE82 3.8 10.4 1.0
CG2 A:ILE82 4.0 11.4 1.0
O A:LYS83 4.0 12.0 1.0
CD1 A:LEU62 4.2 13.0 1.0
CG A:ASN86 4.2 13.7 1.0
CA A:LYS83 4.3 11.8 1.0
CB A:ASN86 4.3 12.1 1.0
CB A:LYS83 4.4 14.0 1.0
O A:ILE81 4.4 17.0 1.0
CE2 A:PHE87 4.5 14.0 1.0
C A:LYS83 4.6 10.7 1.0
CE2 A:TYR66 4.7 13.6 1.0
N A:ILE82 4.7 9.4 1.0
O A:HOH650 4.7 23.3 1.0
CG A:LYS83 4.8 18.1 1.0
CD1 A:TYR66 4.9 13.1 1.0
CB A:LEU62 5.0 12.6 1.0
CG1 A:ILE82 5.0 12.5 1.0
CG A:LEU62 5.0 11.5 1.0

Chlorine binding site 3 out of 7 in 4lxq

Go back to Chlorine Binding Sites List in 4lxq
Chlorine binding site 3 out of 7 in the Crystal Structure Wlard, A Sugar 3N-Formyl Transferase in the Presence of Dtdp and 5-N-Formyl-Thf


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure Wlard, A Sugar 3N-Formyl Transferase in the Presence of Dtdp and 5-N-Formyl-Thf within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl310

b:20.6
occ:1.00
 O A:HOH542 2.7 25.0 1.0
O A:HOH789 2.9 36.1 1.0
O A:HOH558 3.0 23.9 1.0
N A:ASN135 3.2 10.8 1.0
OD1 A:ASN135 3.5 12.0 1.0
CG A:ASN135 3.5 13.2 1.0
CB A:ARG126 3.6 10.6 0.5
CB A:ARG126 3.7 11.0 0.5
NE A:ARG126 3.7 16.7 0.5
CB A:ASN135 3.7 11.3 1.0
CD A:ARG126 3.9 13.0 0.5
CA A:GLY134 3.9 9.2 1.0
CD A:ARG126 3.9 14.1 0.5
C A:GLY134 4.1 9.4 1.0
CA A:ASN135 4.1 9.9 1.0
ND2 A:ASN135 4.1 15.8 1.0
CG A:ARG126 4.3 12.6 0.5
CB A:ASP128 4.4 10.5 1.0
OD1 A:ASP128 4.4 13.6 1.0
CG A:ARG126 4.4 11.4 0.5
NE A:ARG126 4.5 11.5 0.5
O A:ARG126 4.6 9.2 1.0
O A:HOH636 4.7 24.5 1.0
NH1 A:ARG126 4.8 16.2 0.5
CG A:ASP128 4.8 9.8 1.0
C6 A:MPO306 4.8 32.4 1.0
CZ A:ARG126 4.8 10.6 0.5
CA A:ARG126 4.9 9.8 0.5
CZ A:ARG126 4.9 13.4 0.5
CA A:ARG126 4.9 9.8 0.5
C A:ARG126 4.9 8.1 1.0

Chlorine binding site 4 out of 7 in 4lxq

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Chlorine binding site 4 out of 7 in the Crystal Structure Wlard, A Sugar 3N-Formyl Transferase in the Presence of Dtdp and 5-N-Formyl-Thf


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure Wlard, A Sugar 3N-Formyl Transferase in the Presence of Dtdp and 5-N-Formyl-Thf within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl311

b:27.6
occ:1.00
 NZ A:LYS83 2.4 34.5 1.0
O A:HOH650 3.3 23.3 1.0
CE A:LYS83 3.7 26.6 1.0
CD A:LYS83 4.0 21.7 1.0

Chlorine binding site 5 out of 7 in 4lxq

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Chlorine binding site 5 out of 7 in the Crystal Structure Wlard, A Sugar 3N-Formyl Transferase in the Presence of Dtdp and 5-N-Formyl-Thf


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure Wlard, A Sugar 3N-Formyl Transferase in the Presence of Dtdp and 5-N-Formyl-Thf within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl309

b:18.4
occ:1.00
 O B:HOH502 3.1 19.3 1.0
O B:HOH646 3.1 36.4 1.0
O B:HOH474 3.1 14.2 1.0
N B:THR183 3.4 12.6 1.0
OG1 B:THR183 3.6 24.5 0.5
CA B:GLN182 3.7 10.8 1.0
CD B:PRO101 3.7 10.5 1.0
OG1 B:THR183 3.8 6.4 0.5
CG2 B:THR183 4.0 14.9 0.5
C B:GLN182 4.0 12.7 1.0
CD1 B:ILE136 4.1 12.2 1.0
CB B:THR183 4.2 15.7 0.5
CB B:THR183 4.2 13.8 0.5
CG B:PRO101 4.3 9.6 1.0
CB B:GLN182 4.3 10.8 1.0
O B:LYS181 4.3 13.1 1.0
CA B:THR183 4.4 12.8 0.5
CA B:THR183 4.4 14.5 0.5
CG B:GLN182 4.5 11.8 1.0
N B:PRO101 4.7 10.1 1.0
CB B:PRO101 4.7 9.9 1.0
O B:HOH497 4.7 18.0 1.0
N B:GLN182 4.8 11.5 1.0
O B:HOH495 4.8 20.8 1.0
O B:LEU100 4.8 8.9 1.0
O B:HOH704 4.8 17.2 1.0
O B:HOH479 4.9 17.6 1.0
O B:HOH605 4.9 30.8 1.0
C B:LYS181 5.0 11.6 1.0

Chlorine binding site 6 out of 7 in 4lxq

Go back to Chlorine Binding Sites List in 4lxq
Chlorine binding site 6 out of 7 in the Crystal Structure Wlard, A Sugar 3N-Formyl Transferase in the Presence of Dtdp and 5-N-Formyl-Thf


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Crystal Structure Wlard, A Sugar 3N-Formyl Transferase in the Presence of Dtdp and 5-N-Formyl-Thf within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl310

b:19.2
occ:1.00
 O B:HOH579 2.8 28.0 1.0
O B:HOH889 2.9 35.9 1.0
O B:HOH520 3.0 26.8 1.0
N B:ASN135 3.2 10.3 1.0
CG B:ASN135 3.5 12.2 1.0
OD1 B:ASN135 3.5 11.2 1.0
CB B:ARG126 3.7 9.8 1.0
CB B:ASN135 3.7 11.4 1.0
CD B:ARG126 3.9 13.2 1.0
CA B:GLY134 3.9 9.4 1.0
CA B:ASN135 4.0 9.8 1.0
C B:GLY134 4.1 10.8 1.0
ND2 B:ASN135 4.2 15.5 1.0
CB B:ASP128 4.3 10.5 1.0
CG B:ARG126 4.4 11.6 1.0
NE B:ARG126 4.4 20.4 1.0
O B:HOH764 4.4 46.9 1.0
OD1 B:ASP128 4.4 11.8 1.0
O B:ARG126 4.6 9.3 1.0
NH1 B:ARG126 4.8 27.8 1.0
O B:HOH490 4.8 25.7 1.0
CZ B:ARG126 4.8 27.1 1.0
CG B:ASP128 4.8 9.9 1.0
CA B:ARG126 4.9 9.7 1.0
C B:ARG126 4.9 9.4 1.0
C6 B:MPO304 4.9 35.4 1.0

Chlorine binding site 7 out of 7 in 4lxq

Go back to Chlorine Binding Sites List in 4lxq
Chlorine binding site 7 out of 7 in the Crystal Structure Wlard, A Sugar 3N-Formyl Transferase in the Presence of Dtdp and 5-N-Formyl-Thf


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Crystal Structure Wlard, A Sugar 3N-Formyl Transferase in the Presence of Dtdp and 5-N-Formyl-Thf within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl311

b:23.7
occ:1.00
 O B:HOH545 3.0 23.2 1.0
N B:LEU62 3.1 11.0 1.0
NE2 B:GLN80 3.2 21.3 1.0
O B:HOH482 3.2 19.5 1.0
CB B:THR61 3.7 15.7 1.0
CA B:THR61 3.7 11.8 1.0
CG B:LEU62 3.8 10.9 1.0
CB B:LEU62 3.9 12.2 1.0
C B:THR61 3.9 11.2 1.0
CD B:GLN80 4.1 27.9 1.0
OE1 B:GLN80 4.1 33.7 1.0
CA B:LEU62 4.1 11.5 1.0
CD1 B:LEU62 4.2 14.8 1.0
CG2 B:ILE33 4.4 9.5 1.0
CG2 B:THR61 4.4 16.8 1.0
O B:HOH831 4.6 34.8 1.0
O B:HOH608 4.7 23.7 1.0
OG1 B:THR61 4.9 15.0 1.0
N B:ASP63 5.0 12.4 1.0

Reference:

J.B.Thoden, M.F.Goneau, M.Gilbert, H.M.Holden. Structure of A Sugar N-Formyltransferase From Campylobacter Jejuni. Biochemistry V. 52 6114 2013.
ISSN: ISSN 0006-2960
PubMed: 23898784
DOI: 10.1021/BI4009006
Page generated: Sat Dec 12 10:54:09 2020

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