Iodine in PDB 3lvu: Crystal Structure of Abc Transporter, Periplasmic Substrate-Binding Protein SPO2066 From Silicibacter Pomeroyi

The structure of Crystal Structure of Abc Transporter, Periplasmic Substrate-Binding Protein SPO2066 From Silicibacter Pomeroyi, PDB code: 3lvu was solved by C.Chang, G.Chhor, S.Clancy, A.Joachimiak, Midwest Center For Structuralgenomics (Mcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 1.79
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	47.384, 75.517, 78.477, 82.63, 80.29, 77.42
R / Rfree (%)	16.9 / 20.5

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 14;

Binding sites:

The binding sites of Iodine atom in the Crystal Structure of Abc Transporter, Periplasmic Substrate-Binding Protein SPO2066 From Silicibacter Pomeroyi (pdb code 3lvu). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 14 binding sites of Iodine where determined in the Crystal Structure of Abc Transporter, Periplasmic Substrate-Binding Protein SPO2066 From Silicibacter Pomeroyi, PDB code: 3lvu:
Jump to Iodine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iodine binding site 1 out of 14 in the Crystal Structure of Abc Transporter, Periplasmic Substrate-Binding Protein SPO2066 From Silicibacter Pomeroyi


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Crystal Structure of Abc Transporter, Periplasmic Substrate-Binding Protein SPO2066 From Silicibacter Pomeroyi within 5.0Å range: probe atom residue distance (Å) B Occ A:I601 b:24.2 occ:0.75 O A:HOH119 3.5 7.0 1.0 NH2 A:ARG495 3.5 10.3 1.0 O A:HOH80 3.5 18.8 1.0 O A:HOH182 3.6 19.2 1.0 NH1 A:ARG495 3.9 10.1 1.0 CD1 A:LEU522 4.1 8.0 1.0 CZ A:ARG495 4.2 11.6 1.0 CD A:ARG520 4.3 7.1 1.0 O A:HOH646 4.4 37.9 1.0 O A:HOH298 4.5 16.3 1.0 CG A:LEU522 4.6 9.0 1.0 CD2 A:LEU522 5.0 8.0 1.0

Iodine binding site 2 out of 14 in the Crystal Structure of Abc Transporter, Periplasmic Substrate-Binding Protein SPO2066 From Silicibacter Pomeroyi


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of Crystal Structure of Abc Transporter, Periplasmic Substrate-Binding Protein SPO2066 From Silicibacter Pomeroyi within 5.0Å range: probe atom residue distance (Å) B Occ A:I602 b:36.0 occ:0.50 O A:HOH244 3.3 18.0 1.0 NE A:ARG464 3.3 31.2 1.0 O A:HOH653 3.4 26.7 1.0 CD A:ARG464 3.8 26.2 1.0 CA A:ALA461 3.9 13.8 1.0 N A:ALA461 4.0 13.2 1.0 O A:ARG460 4.0 15.2 1.0 C A:ARG460 4.1 14.3 1.0 O A:ALA405 4.1 21.1 1.0 CG A:ARG464 4.2 20.4 1.0 CZ A:ARG464 4.4 32.4 1.0 CB A:ALA461 4.4 12.9 1.0 NH1 A:ARG464 4.5 34.6 1.0 O A:HOH206 4.6 7.4 1.0 CB A:ARG460 4.7 12.9 1.0 O A:HOH700 4.8 27.8 1.0

Iodine binding site 3 out of 14 in the Crystal Structure of Abc Transporter, Periplasmic Substrate-Binding Protein SPO2066 From Silicibacter Pomeroyi


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 3 of Crystal Structure of Abc Transporter, Periplasmic Substrate-Binding Protein SPO2066 From Silicibacter Pomeroyi within 5.0Å range: probe atom residue distance (Å) B Occ A:I603 b:35.1 occ:0.50 N A:ALA477 3.5 5.9 1.0 CB A:ASN476 3.9 9.1 1.0 N A:ASN476 3.9 6.5 1.0 O A:HOH644 4.0 20.4 1.0 CB A:ALA477 4.1 5.7 1.0 CA A:ASN476 4.2 7.6 1.0 CG A:ASP475 4.3 10.2 1.0 C A:ASN476 4.3 5.8 1.0 CB A:ASP475 4.3 9.0 1.0 CA A:ALA477 4.4 6.1 1.0 OD1 A:ASP475 4.4 11.1 1.0 OD2 A:ASP475 4.6 12.8 1.0 CG A:ASN476 4.7 12.2 1.0 ND2 A:ASN476 4.7 15.4 1.0 C A:ASP475 4.7 7.7 1.0

Iodine binding site 4 out of 14 in the Crystal Structure of Abc Transporter, Periplasmic Substrate-Binding Protein SPO2066 From Silicibacter Pomeroyi


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 4 of Crystal Structure of Abc Transporter, Periplasmic Substrate-Binding Protein SPO2066 From Silicibacter Pomeroyi within 5.0Å range: probe atom residue distance (Å) B Occ B:I601 b:28.5 occ:1.00 OD1 B:ASP365 3.4 14.3 0.5 O A:HOH631 3.5 30.5 1.0 CG B:ASP365 3.6 13.3 0.5 N B:ASP365 3.7 10.7 0.5 N B:ASP365 3.7 10.9 0.5 NH2 A:ARG408 3.7 17.9 1.0 OD2 B:ASP365 3.8 14.4 0.5 OD2 B:ASP365 3.8 16.3 0.5 CD A:ARG412 3.8 16.8 1.0 CG B:ASP365 3.9 11.5 0.5 NH1 A:ARG412 3.9 23.4 1.0 CB B:ASP365 4.0 11.0 0.5 NH1 A:ARG406 4.1 30.2 1.0 CB B:THR364 4.1 10.1 1.0 CD A:ARG408 4.1 10.2 1.0 CG A:ARG412 4.3 11.7 1.0 CB A:ARG408 4.3 9.0 1.0 CG A:ARG408 4.4 9.4 1.0 CA B:THR364 4.4 9.6 1.0 CA B:ASP365 4.5 10.8 0.5 CB B:ASP365 4.5 11.8 0.5 OD1 B:ASP365 4.5 12.0 0.5 C B:THR364 4.6 9.9 1.0 CA B:ASP365 4.6 11.3 0.5 CD1 B:LEU499 4.7 11.7 1.0 NE A:ARG412 4.7 20.6 1.0 CZ A:ARG412 4.7 22.5 1.0 CZ A:ARG408 4.8 15.3 1.0 CZ A:ARG406 4.9 29.4 1.0 OG1 B:THR364 4.9 10.5 1.0 NE A:ARG408 4.9 12.3 1.0 CG2 B:THR364 5.0 8.3 1.0 O A:ARG408 5.0 8.4 1.0

Iodine binding site 5 out of 14 in the Crystal Structure of Abc Transporter, Periplasmic Substrate-Binding Protein SPO2066 From Silicibacter Pomeroyi


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 5 of Crystal Structure of Abc Transporter, Periplasmic Substrate-Binding Protein SPO2066 From Silicibacter Pomeroyi within 5.0Å range: probe atom residue distance (Å) B Occ B:I602 b:23.4 occ:0.50 O B:HOH286 3.2 24.1 1.0 O B:HOH51 3.4 9.1 1.0 NH2 B:ARG495 3.5 10.0 1.0 O B:HOH200 3.5 19.1 1.0 CD1 B:LEU522 4.0 10.2 1.0 O B:HOH642 4.1 42.2 1.0 NH1 B:ARG495 4.1 11.1 1.0 CZ B:ARG495 4.3 9.8 1.0 CD B:ARG520 4.4 6.0 1.0 CG B:LEU522 4.4 5.7 1.0 O2 B:EDO611 4.5 26.7 1.0 O B:HOH643 4.5 22.1 1.0 CD2 B:LEU522 4.9 8.0 1.0 CG1 B:VAL483 4.9 7.8 1.0

Iodine binding site 6 out of 14 in the Crystal Structure of Abc Transporter, Periplasmic Substrate-Binding Protein SPO2066 From Silicibacter Pomeroyi


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 6 of Crystal Structure of Abc Transporter, Periplasmic Substrate-Binding Protein SPO2066 From Silicibacter Pomeroyi within 5.0Å range: probe atom residue distance (Å) B Occ B:I603 b:37.6 occ:0.50 N B:ALA477 3.5 5.7 1.0 N B:ASN476 3.8 6.6 1.0 CB B:ALA477 3.9 5.7 1.0 O B:HOH593 4.0 22.8 1.0 CG B:ASP475 4.0 11.1 1.0 OD1 B:ASP475 4.0 10.0 1.0 CB B:ASN476 4.1 8.0 1.0 CB B:ASP475 4.1 7.3 1.0 CA B:ALA477 4.3 5.6 1.0 CA B:ASN476 4.3 7.4 1.0 C B:ASN476 4.3 6.3 1.0 OD2 B:ASP475 4.4 12.5 1.0 C B:ASP475 4.6 6.8 1.0 CA B:ASP475 5.0 7.7 1.0 CG B:ASN476 5.0 10.5 1.0

Iodine binding site 7 out of 14 in the Crystal Structure of Abc Transporter, Periplasmic Substrate-Binding Protein SPO2066 From Silicibacter Pomeroyi


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 7 of Crystal Structure of Abc Transporter, Periplasmic Substrate-Binding Protein SPO2066 From Silicibacter Pomeroyi within 5.0Å range: probe atom residue distance (Å) B Occ B:I604 b:35.8 occ:0.50 NH2 B:ARG464 3.6 22.6 0.5 CD1 B:LEU411 3.9 21.0 1.0 CG B:ARG408 4.1 8.3 1.0 O B:ARG406 4.4 18.1 1.0 CA B:ARG408 4.4 8.2 1.0 CB B:LEU411 4.4 10.4 1.0 CD B:ARG412 4.5 21.3 1.0 CB B:ARG408 4.5 7.8 1.0 CG B:LEU411 4.9 15.3 1.0 CZ B:ARG464 4.9 20.6 0.5 O B:ARG408 5.0 7.2 1.0

Iodine binding site 8 out of 14 in the Crystal Structure of Abc Transporter, Periplasmic Substrate-Binding Protein SPO2066 From Silicibacter Pomeroyi


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 8 of Crystal Structure of Abc Transporter, Periplasmic Substrate-Binding Protein SPO2066 From Silicibacter Pomeroyi within 5.0Å range: probe atom residue distance (Å) B Occ C:I601 b:28.8 occ:1.00 OD1 C:ASP365 3.1 16.5 0.5 CG C:ASP365 3.7 13.7 0.5 N C:ASP365 3.7 10.8 0.5 N C:ASP365 3.8 11.4 0.5 CB C:THR364 4.1 10.5 1.0 OD2 C:ASP365 4.1 16.5 0.5 CG C:ASP365 4.1 10.2 0.5 CB C:ASP365 4.1 9.9 0.5 OD2 C:ASP365 4.2 12.8 0.5 CA C:THR364 4.4 11.1 1.0 OD1 C:ASP365 4.5 5.6 0.5 CB C:ASP365 4.5 11.8 0.5 CA C:ASP365 4.5 10.0 0.5 CD1 C:LEU499 4.6 10.4 1.0 C C:THR364 4.6 10.7 1.0 CA C:ASP365 4.7 11.1 0.5 CG2 C:THR364 4.9 11.0 1.0 OG1 C:THR364 4.9 10.9 1.0

Iodine binding site 9 out of 14 in the Crystal Structure of Abc Transporter, Periplasmic Substrate-Binding Protein SPO2066 From Silicibacter Pomeroyi


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 9 of Crystal Structure of Abc Transporter, Periplasmic Substrate-Binding Protein SPO2066 From Silicibacter Pomeroyi within 5.0Å range: probe atom residue distance (Å) B Occ C:I602 b:23.5 occ:0.50 O C:HOH1 2.8 2.3 1.0 O C:HOH19 3.2 8.2 1.0 O C:HOH261 3.5 18.8 1.0 NH2 C:ARG495 3.6 12.4 1.0 NH1 C:ARG495 4.0 15.9 1.0 CD1 C:LEU522 4.1 9.0 1.0 CZ C:ARG495 4.2 16.3 1.0 CD C:ARG520 4.3 5.1 1.0 CG C:LEU522 4.4 7.9 1.0 O C:HOH637 4.5 26.5 1.0 CD2 C:LEU522 4.8 7.5 1.0 CG1 C:VAL483 4.9 7.9 1.0

Iodine binding site 10 out of 14 in the Crystal Structure of Abc Transporter, Periplasmic Substrate-Binding Protein SPO2066 From Silicibacter Pomeroyi


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 10 of Crystal Structure of Abc Transporter, Periplasmic Substrate-Binding Protein SPO2066 From Silicibacter Pomeroyi within 5.0Å range: probe atom residue distance (Å) B Occ C:I603 b:32.8 occ:0.50 N C:ALA477 3.5 6.6 1.0 N C:ASN476 3.8 8.0 1.0 CB C:ALA477 3.9 5.3 1.0 CG C:ASP475 4.0 12.3 1.0 CB C:ASN476 4.0 9.4 1.0 OD1 C:ASP475 4.1 13.9 1.0 CB C:ASP475 4.2 8.6 1.0 CA C:ASN476 4.2 9.0 1.0 C C:ASN476 4.3 7.1 1.0 CA C:ALA477 4.3 6.7 1.0 OD2 C:ASP475 4.4 14.6 1.0 C C:ASP475 4.6 8.8 1.0 CG C:ASN476 4.9 12.4 1.0 ND2 C:ASN476 5.0 13.6 1.0 CA C:ASP475 5.0 9.4 1.0

C.Chang, G.Chhor, S.Clancy, A.Joachimiak. Crystal Structure of Abc Transporter, Periplasmic Substrate-Binding Protein SPO2066 From Silicibacter Pomeroyi To Be Published.