Chlorine in PDB 5koe: The Structure of Arabidopsis Thaliana FUT1 in Complex with Xxlg

All present enzymatic activity of The Structure of Arabidopsis Thaliana FUT1 in Complex with Xxlg:
2.4.1.69;

The structure of The Structure of Arabidopsis Thaliana FUT1 in Complex with Xxlg, PDB code: 5koe was solved by P.M.Alahuhta, V.V.Lunin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	157.53 / 1.79
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	81.748, 80.150, 157.616, 90.00, 91.91, 90.00
R / Rfree (%)	16.6 / 21.7

The structure of The Structure of Arabidopsis Thaliana FUT1 in Complex with Xxlg also contains other interesting chemical elements:

Potassium

(K)

8 atoms

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 19;

Binding sites:

The binding sites of Chlorine atom in the The Structure of Arabidopsis Thaliana FUT1 in Complex with Xxlg (pdb code 5koe). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 19 binding sites of Chlorine where determined in the The Structure of Arabidopsis Thaliana FUT1 in Complex with Xxlg, PDB code: 5koe:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 19 in the The Structure of Arabidopsis Thaliana FUT1 in Complex with Xxlg


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of The Structure of Arabidopsis Thaliana FUT1 in Complex with Xxlg within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl603 b:18.3 occ:1.00 O A:HOH798 3.2 13.7 1.0 OG1 A:THR326 3.2 15.1 1.0 O A:HOH1015 3.2 14.2 1.0 N A:GLN323 3.4 17.0 1.0 N A:PRO322 3.4 15.2 1.0 CA A:PHE321 3.6 14.0 1.0 CD A:PRO322 3.6 15.6 1.0 CB A:GLN323 3.6 18.5 1.0 C A:PHE321 3.7 14.6 1.0 CG A:GLN323 3.9 20.2 1.0 NE2 A:GLN323 3.9 22.3 1.0 CA A:GLN323 4.1 17.7 1.0 CB A:THR326 4.1 14.6 1.0 CG A:PRO322 4.1 16.5 1.0 CG2 A:THR326 4.1 15.6 1.0 CD A:GLN323 4.2 21.5 1.0 O A:PHE321 4.3 14.2 1.0 CB A:PHE321 4.3 13.2 1.0 C A:PRO322 4.3 17.1 1.0 CA A:PRO322 4.4 16.4 1.0 O A:LEU320 4.6 14.7 1.0 NE2 A:HIS330 4.7 13.3 1.0 N A:LYS324 4.7 16.0 1.0 O A:LYS127 4.8 19.2 1.0 N A:PHE321 4.8 14.2 1.0 CB A:PRO322 4.8 16.9 1.0 C A:GLN323 4.8 16.9 1.0 CD1 A:PHE321 4.9 12.5 1.0 CD2 A:HIS330 4.9 13.0 1.0 O A:HOH860 5.0 17.5 0.5

Chlorine binding site 2 out of 19 in the The Structure of Arabidopsis Thaliana FUT1 in Complex with Xxlg


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of The Structure of Arabidopsis Thaliana FUT1 in Complex with Xxlg within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl604 b:32.2 occ:1.00 O D:HOH793 2.8 38.0 1.0 N A:GLU217 3.2 15.2 1.0 O D:HOH1119 3.3 15.5 0.5 CB A:CYS216 3.5 18.0 1.0 O A:HOH1024 3.7 23.2 1.0 CA A:CYS216 3.8 16.4 1.0 NH2 A:ARG114 3.8 18.3 1.0 O D:HOH704 3.9 37.2 0.5 C3 D:GOL607 3.9 28.9 0.5 CB A:GLU217 4.0 16.0 1.0 C A:CYS216 4.0 15.1 1.0 O A:HOH1232 4.0 27.1 0.5 CG A:GLU217 4.0 16.7 1.0 CA A:GLU217 4.2 14.8 1.0 CB A:CYS111 4.3 18.8 1.0 O A:SER110 4.4 21.5 1.0 O3 D:GOL607 4.4 29.5 0.5 SG A:CYS216 4.4 23.4 1.0 OG A:SER110 4.5 32.0 1.0 O A:GLU217 4.6 14.8 1.0 O D:HOH702 4.8 21.8 0.5 C A:GLU217 4.9 14.1 1.0 C2 D:GOL607 5.0 28.2 0.5 C A:SER110 5.0 22.5 1.0 O2 D:GOL607 5.0 24.8 0.5

Chlorine binding site 3 out of 19 in the The Structure of Arabidopsis Thaliana FUT1 in Complex with Xxlg


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of The Structure of Arabidopsis Thaliana FUT1 in Complex with Xxlg within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl605 b:29.2 occ:1.00 O A:HOH1230 2.9 29.5 1.0 N A:GLY183 3.2 12.9 1.0 O A:HOH1062 3.3 12.1 1.0 CA A:GLY183 3.8 12.6 1.0 N A:LEU182 4.0 14.8 1.0 CD2 A:PHE484 4.1 21.9 1.0 C A:LEU182 4.2 13.3 1.0 O A:HOH1016 4.3 23.6 1.0 CB A:PHE484 4.3 17.6 1.0 CA A:LEU182 4.4 14.3 1.0 CB A:LEU182 4.5 15.9 1.0 O A:HOH1204 4.6 47.4 1.0 C A:GLY181 4.6 14.9 1.0 OG1 A:THR483 4.7 15.2 1.0 CG A:PHE484 4.7 19.4 1.0 O A:HOH809 4.7 24.5 1.0 CE A:MET467 4.7 29.2 1.0 O A:HOH741 4.8 30.8 1.0 N A:PHE484 4.8 14.2 1.0 O A:HOH1051 4.8 39.1 1.0 CA A:PHE484 4.8 15.5 1.0 O A:HOH1240 4.8 38.1 1.0 CA A:GLY181 4.9 15.8 1.0 C A:GLY183 4.9 12.1 1.0 N A:ASN184 5.0 12.3 1.0

Chlorine binding site 4 out of 19 in the The Structure of Arabidopsis Thaliana FUT1 in Complex with Xxlg


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of The Structure of Arabidopsis Thaliana FUT1 in Complex with Xxlg within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl606 b:37.4 occ:1.00 O A:HOH930 2.8 46.0 1.0 N A:GLY284 3.0 19.4 1.0 CA A:GLY284 3.8 19.5 1.0 N A:GLU283 3.8 19.9 1.0 CB A:CYS282 4.0 22.7 1.0 CB A:CYS530 4.0 28.7 1.0 C A:GLU283 4.0 19.3 1.0 CA A:GLU283 4.2 21.1 1.0 CB A:GLU283 4.3 25.0 1.0 C A:CYS282 4.3 20.0 1.0 O A:CYS530 4.6 32.2 1.0 CA A:CYS282 4.6 19.6 1.0 O A:HOH940 4.7 32.1 1.0 OD1 A:ASP285 4.7 19.8 1.0 N A:ASP285 4.7 17.2 1.0 C A:GLY284 4.8 18.5 1.0 C A:CYS530 4.9 30.6 1.0 SG A:CYS282 5.0 26.3 1.0 O A:CYS282 5.0 20.3 1.0

Chlorine binding site 5 out of 19 in the The Structure of Arabidopsis Thaliana FUT1 in Complex with Xxlg


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of The Structure of Arabidopsis Thaliana FUT1 in Complex with Xxlg within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl607 b:44.2 occ:1.00 O A:HOH987 3.3 21.9 1.0 NE A:ARG145 3.3 27.3 1.0 NH2 A:ARG145 3.7 29.2 1.0 CA A:LEU142 3.7 16.4 1.0 N A:LEU142 3.9 16.2 1.0 CZ A:ARG145 4.0 29.1 1.0 C A:LYS141 4.1 17.3 1.0 O A:LYS141 4.2 16.9 1.0 CB A:LEU142 4.2 16.0 1.0 CD1 A:LEU142 4.3 17.0 1.0 CD A:ARG145 4.3 27.0 1.0 CB A:LYS141 4.5 20.8 1.0 CB A:ARG145 4.7 23.0 1.0 CG A:LEU142 4.9 16.0 1.0 O A:HOH1159 4.9 42.0 1.0 O A:HOH827 5.0 26.1 1.0 CA A:LYS141 5.0 18.3 1.0 C A:LEU142 5.0 15.8 1.0

Chlorine binding site 6 out of 19 in the The Structure of Arabidopsis Thaliana FUT1 in Complex with Xxlg


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of The Structure of Arabidopsis Thaliana FUT1 in Complex with Xxlg within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl608 b:27.8 occ:1.00 O A:HOH1171 3.0 37.0 1.0 O A:HOH767 3.2 15.8 1.0 O A:HOH1150 3.2 41.2 1.0 O A:HOH1008 3.3 15.3 1.0 N A:LYS495 3.3 17.7 1.0 NH2 A:ARG514 3.4 21.0 1.0 CA A:LEU494 3.8 17.9 1.0 O A:LYS495 3.8 16.7 1.0 CD2 A:LEU494 3.9 20.5 1.0 O1S A:MES602 3.9 26.3 0.5 C A:LEU494 4.0 17.1 1.0 CA A:LYS495 4.2 18.2 1.0 CB A:LYS495 4.3 20.3 1.0 O A:HOH1107 4.3 28.8 0.5 C A:LYS495 4.4 17.1 1.0 O A:ASP474 4.4 17.4 1.0 CB A:LEU494 4.5 18.0 1.0 O A:GLY493 4.5 21.7 1.0 O A:HOH874 4.6 29.7 1.0 CG A:LEU494 4.7 19.0 1.0 CZ A:ARG514 4.7 22.0 1.0 OD1 A:ASN475 4.8 22.4 1.0 N A:LEU494 4.9 17.4 1.0

Chlorine binding site 7 out of 19 in the The Structure of Arabidopsis Thaliana FUT1 in Complex with Xxlg


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of The Structure of Arabidopsis Thaliana FUT1 in Complex with Xxlg within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl609 b:42.5 occ:1.00 O A:HOH810 2.9 27.1 1.0 N A:VAL367 3.1 21.4 1.0 NH1 A:ARG366 3.1 32.8 1.0 O A:HOH787 3.4 36.5 1.0 O A:HOH866 3.4 47.9 1.0 O A:VAL367 3.6 25.1 1.0 CD2 A:LEU418 3.7 43.2 1.0 CD A:ARG366 3.7 28.1 1.0 CA A:ARG366 3.8 20.5 1.0 C A:ARG366 3.9 21.1 1.0 CA A:VAL367 4.0 23.1 1.0 CB A:LEU418 4.0 36.7 1.0 CZ A:ARG366 4.1 32.5 1.0 C A:VAL367 4.1 24.9 1.0 CB A:VAL367 4.2 23.2 1.0 NE A:ARG366 4.3 30.6 1.0 CG A:LEU418 4.3 41.3 1.0 CG A:ARG366 4.4 24.9 1.0 O A:VAL365 4.5 19.6 1.0 CB A:ARG366 4.6 22.4 1.0 CD1 A:LEU418 4.8 44.6 1.0 N A:LEU418 4.8 28.4 1.0 CG2 A:VAL367 4.8 23.1 1.0 N A:ARG366 4.9 18.9 1.0

Chlorine binding site 8 out of 19 in the The Structure of Arabidopsis Thaliana FUT1 in Complex with Xxlg


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of The Structure of Arabidopsis Thaliana FUT1 in Complex with Xxlg within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl610 b:41.2 occ:0.50 ND2 A:ASN240 3.5 27.0 1.0 OD1 A:ASN240 3.6 25.2 1.0 CG A:ASN240 3.9 23.6 1.0 O A:HOH1151 4.1 20.3 0.5 CB A:GLU242 4.3 23.5 1.0 CG A:GLU242 4.6 26.3 1.0 O C:HOH1122 4.9 22.5 0.5 O A:HOH1151 4.9 20.3 0.5 O C:HOH1124 5.0 22.3 0.5

Chlorine binding site 9 out of 19 in the The Structure of Arabidopsis Thaliana FUT1 in Complex with Xxlg


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of The Structure of Arabidopsis Thaliana FUT1 in Complex with Xxlg within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl601 b:28.7 occ:1.00 O B:HOH1127 3.2 29.6 1.0 N B:GLU217 3.2 15.1 1.0 O B:HOH1005 3.4 21.4 1.0 NH2 B:ARG114 3.6 15.1 1.0 CB B:CYS216 3.6 18.5 1.0 O B:HOH1123 3.9 34.8 1.0 CB B:GLU217 3.9 16.6 1.0 CG B:GLU217 3.9 17.8 1.0 CA B:CYS216 3.9 15.6 1.0 C B:CYS216 4.0 14.7 1.0 CA B:GLU217 4.1 15.3 1.0 CB B:CYS111 4.3 18.9 1.0 OG B:SER110 4.4 28.3 1.0 O B:HOH1179 4.5 32.3 1.0 SG B:CYS216 4.6 23.9 1.0 O B:GLU217 4.6 15.2 1.0 O B:SER110 4.8 20.4 1.0 O C:HOH1015 4.8 31.2 1.0 C B:GLU217 4.9 14.9 1.0 K C:K609 4.9 40.3 0.5 CZ B:ARG114 5.0 15.3 1.0

Chlorine binding site 10 out of 19 in the The Structure of Arabidopsis Thaliana FUT1 in Complex with Xxlg


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of The Structure of Arabidopsis Thaliana FUT1 in Complex with Xxlg within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl602 b:29.3 occ:1.00 O B:HOH1183 3.0 26.5 1.0 N B:GLY183 3.3 15.1 1.0 O B:HOH889 3.3 11.5 0.5 O B:HOH991 3.4 18.1 1.0 CA B:GLY183 3.8 15.2 1.0 N B:LEU182 3.9 16.4 1.0 O B:HOH1178 4.0 51.7 1.0 CD2 B:PHE484 4.0 19.5 1.0 O B:HOH993 4.2 24.3 1.0 CB B:PHE484 4.2 17.3 1.0 C B:LEU182 4.3 14.7 1.0 CE B:MET467 4.4 26.4 1.0 CA B:LEU182 4.4 16.1 1.0 CB B:LEU182 4.5 17.5 1.0 O B:HOH901 4.5 11.3 0.5 C B:GLY181 4.5 16.4 1.0 CG B:PHE484 4.6 18.6 1.0 N B:PHE484 4.7 15.8 1.0 CA B:PHE484 4.7 15.4 1.0 OG1 B:THR483 4.7 15.5 1.0 O B:HOH770 4.7 33.1 1.0 O B:HOH1191 4.8 29.3 1.0 CA B:GLY181 4.9 17.7 1.0

B.R.Urbanowicz, V.S.Bharadwaj, M.Alahuhta, M.J.Pena, V.V.Lunin, Y.J.Bomble, S.Wang, J.Y.Yang, S.T.Tuomivaara, M.E.Himmel, K.W.Moremen, W.S.York, M.F.Crowley. Structural, Mutagenic and in Silico Studies of Xyloglucan Fucosylation in Arabidopsis Thaliana Suggest A Water-Mediated Mechanism. Plant J. V. 91 931 2017.
ISSN: ESSN 1365-313X
PubMed: 28670741
DOI: 10.1111/TPJ.13628