Iodine in PDB 6nqy: Flagellar Protein Fcpa From Leptospira Biflexa / Ab-Centered Monoclinic Form

The structure of Flagellar Protein Fcpa From Leptospira Biflexa / Ab-Centered Monoclinic Form, PDB code: 6nqy was solved by A.Mechaly, N.Larrieux, F.Trajtenberg, A.Buschiazzo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.29 / 2.50
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	82.321, 99.586, 106.686, 90.00, 91.95, 90.00
R / Rfree (%)	19.6 / 22.1

Pages:

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

Binding sites:

The binding sites of Iodine atom in the Flagellar Protein Fcpa From Leptospira Biflexa / Ab-Centered Monoclinic Form (pdb code 6nqy). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 31 binding sites of Iodine where determined in the Flagellar Protein Fcpa From Leptospira Biflexa / Ab-Centered Monoclinic Form, PDB code: 6nqy:
Jump to Iodine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iodine binding site 1 out of 31 in the Flagellar Protein Fcpa From Leptospira Biflexa / Ab-Centered Monoclinic Form


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Flagellar Protein Fcpa From Leptospira Biflexa / Ab-Centered Monoclinic Form within 5.0Å range: probe atom residue distance (Å) B Occ A:I402 b:68.7 occ:0.78 NZ A:LYS161 3.5 62.4 1.0 OE1 A:GLN162 3.6 0.9 1.0 O A:HOH513 3.6 50.9 1.0 ND2 A:ASN209 3.8 46.5 1.0 SD A:MET158 3.9 57.9 0.6 CG A:MET158 4.0 55.7 1.0 CE A:LYS161 4.3 63.5 1.0 NE2 A:GLN162 4.3 71.4 1.0 CD A:GLN162 4.3 92.8 1.0 CD1 A:LEU207 4.4 57.6 1.0 CB A:MET158 4.4 56.1 1.0 CD A:LYS161 4.5 64.2 1.0 OD1 A:ASN209 4.7 55.8 1.0 CG A:ASN209 4.7 56.0 1.0 CA A:MET158 4.8 55.5 1.0 O A:MET158 5.0 62.6 1.0

Iodine binding site 2 out of 31 in the Flagellar Protein Fcpa From Leptospira Biflexa / Ab-Centered Monoclinic Form


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of Flagellar Protein Fcpa From Leptospira Biflexa / Ab-Centered Monoclinic Form within 5.0Å range: probe atom residue distance (Å) B Occ A:I403 b:80.7 occ:0.56 CB A:PRO231 3.6 64.2 1.0 CG A:PRO231 3.8 70.3 1.0 CD A:LYS234 3.8 82.8 1.0 OH A:TYR230 4.1 0.6 1.0 CE2 A:TYR230 4.1 84.8 1.0 CA A:GLU70 4.2 95.2 1.0 CE A:LYS234 4.3 0.8 1.0 CA A:PRO231 4.3 62.4 1.0 CZ A:TYR230 4.3 0.9 1.0 CB A:GLU70 4.4 97.5 1.0 NZ A:LYS234 4.4 1.0 1.0 CB A:TRP73 4.5 58.6 1.0 CE2 A:TYR235 4.6 61.5 1.0 OH A:TYR235 4.6 67.9 1.0 O A:GLU70 4.8 96.5 1.0 O A:TRP73 5.0 68.4 1.0 CD2 A:TYR230 5.0 82.5 1.0 CZ A:TYR235 5.0 68.9 1.0

Iodine binding site 3 out of 31 in the Flagellar Protein Fcpa From Leptospira Biflexa / Ab-Centered Monoclinic Form


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 3 of Flagellar Protein Fcpa From Leptospira Biflexa / Ab-Centered Monoclinic Form within 5.0Å range: probe atom residue distance (Å) B Occ A:I404 b:75.5 occ:0.50 O A:HOH502 3.1 60.7 1.0 ND2 A:ASN265 3.3 60.8 1.0 CA A:TYR262 3.9 58.0 1.0 N A:TYR262 4.2 60.3 1.0 CG A:ARG261 4.3 65.2 1.0 O A:ARG261 4.3 67.8 1.0 CB A:TYR262 4.4 56.8 1.0 C A:ARG261 4.4 66.6 1.0 CG A:ASN265 4.4 71.6 1.0 CD1 A:TYR262 4.5 58.4 1.0 NE A:ARG261 4.5 87.3 1.0 CB A:ASN265 4.6 59.0 1.0 CG2 A:ILE290 4.6 76.9 1.0 CD A:ARG261 4.8 69.8 1.0 CB A:ARG261 4.9 63.0 1.0 CG A:TYR262 4.9 56.4 1.0

Iodine binding site 4 out of 31 in the Flagellar Protein Fcpa From Leptospira Biflexa / Ab-Centered Monoclinic Form


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 4 of Flagellar Protein Fcpa From Leptospira Biflexa / Ab-Centered Monoclinic Form within 5.0Å range: probe atom residue distance (Å) B Occ A:I405 b:76.6 occ:0.52 I A:IOD405 0.0 76.6 0.5 I A:IOD405 3.1 91.3 0.5 NH2 A:ARG125 3.6 60.7 1.0 C1 A:GOL401 3.8 90.9 1.0 C3 A:GOL401 3.9 89.4 1.0 CD B:LYS142 3.9 84.5 1.0 CD1 B:TYR139 4.0 60.3 1.0 CG1 A:VAL121 4.0 63.6 1.0 NE A:ARG125 4.1 67.8 1.0 NZ B:LYS142 4.2 0.8 1.0 CZ A:ARG125 4.4 77.4 1.0 C2 A:GOL401 4.5 89.6 1.0 CE1 B:TYR139 4.5 61.6 1.0 CE B:LYS142 4.6 88.7 1.0 CD A:LYS157 4.8 69.7 1.0 CG1 A:VAL153 4.9 59.5 1.0 CG B:LYS142 5.0 75.9 1.0 O1 A:GOL401 5.0 88.3 1.0

Iodine binding site 5 out of 31 in the Flagellar Protein Fcpa From Leptospira Biflexa / Ab-Centered Monoclinic Form


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 5 of Flagellar Protein Fcpa From Leptospira Biflexa / Ab-Centered Monoclinic Form within 5.0Å range: probe atom residue distance (Å) B Occ A:I405 b:91.3 occ:0.47 I A:IOD405 0.0 91.3 0.5 I A:IOD405 3.1 76.6 0.5 NZ A:LYS157 3.4 75.0 1.0 C1 A:GOL401 3.4 90.9 1.0 CD A:LYS157 3.7 69.7 1.0 O1 A:GOL401 3.8 88.3 1.0 CE A:LYS157 4.0 65.1 1.0 CG1 A:VAL121 4.0 63.6 1.0 NE A:ARG118 4.0 97.6 1.0 CB A:VAL121 4.1 65.9 1.0 CG A:ARG118 4.2 73.5 1.0 CG2 A:VAL121 4.3 64.8 1.0 CA A:ARG118 4.5 62.2 1.0 CB A:ARG118 4.6 61.2 1.0 CZ A:ARG118 4.6 0.0 1.0 NH2 A:ARG118 4.6 96.9 1.0 CD A:ARG118 4.7 91.7 1.0 CG A:LYS157 4.7 63.4 1.0 C2 A:GOL401 4.7 89.6 1.0

Iodine binding site 6 out of 31 in the Flagellar Protein Fcpa From Leptospira Biflexa / Ab-Centered Monoclinic Form


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 6 of Flagellar Protein Fcpa From Leptospira Biflexa / Ab-Centered Monoclinic Form within 5.0Å range: probe atom residue distance (Å) B Occ A:I406 b:84.9 occ:0.46 CB A:ASP255 4.0 79.9 1.0 N A:ASP255 4.1 79.3 1.0 CG A:ASP255 4.4 81.8 1.0 N A:ASP254 4.5 98.3 1.0 CA A:ASP255 4.6 78.2 1.0 OD2 A:ASP255 4.7 84.3 1.0 C A:ASP254 4.9 88.5 1.0 OD1 A:ASP255 5.0 80.5 1.0

Iodine binding site 7 out of 31 in the Flagellar Protein Fcpa From Leptospira Biflexa / Ab-Centered Monoclinic Form


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 7 of Flagellar Protein Fcpa From Leptospira Biflexa / Ab-Centered Monoclinic Form within 5.0Å range: probe atom residue distance (Å) B Occ A:I407 b:70.0 occ:0.36 N A:PHE78 3.6 71.9 1.0 N A:LYS79 3.7 74.3 1.0 CB A:ASP77 3.7 63.0 1.0 OD2 A:ASP77 3.7 86.4 1.0 CG A:ASP77 3.8 69.6 1.0 CB A:LYS79 4.1 75.2 1.0 CA A:PHE78 4.3 74.7 1.0 CB A:PHE78 4.4 79.2 1.0 C A:ASP77 4.4 71.8 1.0 C A:PHE78 4.4 78.0 1.0 CA A:LYS79 4.5 74.8 1.0 OD1 A:ASP77 4.5 68.8 1.0 CA A:ASP77 4.6 63.6 1.0

Iodine binding site 8 out of 31 in the Flagellar Protein Fcpa From Leptospira Biflexa / Ab-Centered Monoclinic Form


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 8 of Flagellar Protein Fcpa From Leptospira Biflexa / Ab-Centered Monoclinic Form within 5.0Å range: probe atom residue distance (Å) B Occ A:I408 b:82.9 occ:0.32 CD A:PRO253 4.0 0.8 1.0 CG A:PRO253 4.7 0.4 1.0

Iodine binding site 9 out of 31 in the Flagellar Protein Fcpa From Leptospira Biflexa / Ab-Centered Monoclinic Form


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 9 of Flagellar Protein Fcpa From Leptospira Biflexa / Ab-Centered Monoclinic Form within 5.0Å range: probe atom residue distance (Å) B Occ A:I409 b:85.4 occ:0.33 O A:HOH527 3.7 54.3 1.0 O A:HOH550 3.8 73.1 1.0 OG1 A:THR84 3.8 80.2 1.0 N A:TYR81 4.0 71.6 1.0 CA A:TYR81 4.0 71.5 1.0 CB A:THR84 4.0 80.2 1.0 C A:GLY80 4.0 75.3 1.0 O A:GLY80 4.0 76.1 1.0 CB A:PRO76 4.1 64.2 1.0 CG2 A:THR84 4.1 73.2 1.0 CG1 A:VAL111 4.2 60.9 1.0 OH A:TYR107 4.5 62.1 1.0 CE2 A:PHE85 4.6 76.6 1.0 CB A:TYR81 4.8 72.3 1.0 CA A:GLY80 4.8 70.4 1.0 CA A:PRO76 4.8 63.1 1.0 CG2 A:VAL111 4.9 59.3 1.0

Iodine binding site 10 out of 31 in the Flagellar Protein Fcpa From Leptospira Biflexa / Ab-Centered Monoclinic Form


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 10 of Flagellar Protein Fcpa From Leptospira Biflexa / Ab-Centered Monoclinic Form within 5.0Å range: probe atom residue distance (Å) B Occ A:I410 b:0.0 occ:0.59 O A:HOH566 3.6 94.7 1.0 N A:ASN98 3.9 90.4 1.0 CA A:ASN98 3.9 88.9 1.0 CD A:ARG101 3.9 0.9 1.0 O A:HOH572 4.0 88.8 1.0 C A:ASN97 4.0 94.3 1.0 O A:ASN97 4.1 91.1 1.0 NE A:ARG101 4.2 0.6 1.0 CB A:ASN98 4.4 88.3 1.0 N A:ASN97 4.4 98.6 1.0 OD1 A:ASN98 4.4 0.1 1.0 CB A:ARG101 4.5 84.3 1.0 C A:ALA96 4.6 0.2 1.0 CG A:ARG101 4.6 0.1 1.0 CA A:ASN97 4.7 95.6 1.0 CG A:ASN98 4.9 0.2 1.0 CA A:ALA96 5.0 0.5 1.0 O A:ALA96 5.0 1.0 1.0

K.Gibson, F.Trajtenberg, M.Brady, F.San Martin, A.Mechaly, E.Wunder, M.Picardeau, A.Ko, A.Buschiazzo, C.Sindelar. An Asymmetric Sheath Templates Flagellar Supercoiling to Drive Motility in the Leptospira Spirochete. To Be Published.