Iodine in PDB 3mgl: Crystal Structure of Permease Family Protein From Vibrio Cholerae

The structure of Crystal Structure of Permease Family Protein From Vibrio Cholerae, PDB code: 3mgl was solved by C.Chang, N.Marshall, J.Bearden, A.Joachimiak, Midwest Center Forstructural Genomics (Mcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.25
Space group	P 4 21 2
Cell size a, b, c (Å), α, β, γ (°)	90.914, 90.914, 65.210, 90.00, 90.00, 90.00
R / Rfree (%)	19.3 / 24.7

Pages:

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

Binding sites:

The binding sites of Iodine atom in the Crystal Structure of Permease Family Protein From Vibrio Cholerae (pdb code 3mgl). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 11 binding sites of Iodine where determined in the Crystal Structure of Permease Family Protein From Vibrio Cholerae, PDB code: 3mgl:
Jump to Iodine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iodine binding site 1 out of 11 in the Crystal Structure of Permease Family Protein From Vibrio Cholerae


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 Permease Family Protein From Vibrio Cholerae within 5.0Å range: probe atom residue distance (Å) B Occ A:I602 b:36.9 occ:0.50 O A:HOH11 3.0 26.6 1.0 NE A:ARG476 3.2 26.7 1.0 OG A:SER508 3.4 23.2 1.0 CB A:LYS478 3.5 28.4 1.0 CB A:ARG476 3.6 24.3 1.0 O A:SER508 3.6 24.1 1.0 CB A:PHE536 3.7 19.0 1.0 CA A:GLY509 3.8 24.6 1.0 NH2 A:ARG476 3.8 26.7 1.0 C A:SER508 3.9 23.8 1.0 CG A:ARG476 3.9 24.7 1.0 CA A:ARG476 3.9 24.7 1.0 N A:LYS478 3.9 26.2 1.0 CZ A:ARG476 3.9 27.0 1.0 N A:GLY509 4.0 23.9 1.0 N A:LEU477 4.1 24.9 1.0 CD A:ARG476 4.1 26.4 1.0 N A:PHE536 4.3 20.0 1.0 CA A:LYS478 4.3 27.9 1.0 CB A:SER508 4.3 23.4 1.0 C A:ARG476 4.3 25.0 1.0 CA A:PHE536 4.4 19.4 1.0 CE A:LYS478 4.5 36.0 1.0 CG A:PHE536 4.5 18.8 1.0 CD A:LYS478 4.6 34.6 1.0 CG A:LYS478 4.6 31.8 1.0 CA A:SER508 4.7 23.2 1.0 CD1 A:PHE536 4.8 18.3 1.0 C A:GLY509 4.8 24.4 1.0 C A:LEU477 5.0 26.0 1.0

Iodine binding site 2 out of 11 in the Crystal Structure of Permease Family Protein From Vibrio Cholerae


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 Permease Family Protein From Vibrio Cholerae within 5.0Å range: probe atom residue distance (Å) B Occ A:I603 b:46.1 occ:1.00 N A:LEU438 3.8 26.2 1.0 CB A:THR437 4.0 27.7 1.0 CA A:THR437 4.1 27.7 1.0 CG2 A:THR437 4.3 27.6 1.0 CB A:LEU438 4.4 25.2 1.0 C A:THR437 4.5 27.0 1.0 CA A:LEU438 4.7 25.4 1.0 CG A:LEU438 4.8 24.8 1.0

Iodine binding site 3 out of 11 in the Crystal Structure of Permease Family Protein From Vibrio Cholerae


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 Permease Family Protein From Vibrio Cholerae within 5.0Å range: probe atom residue distance (Å) B Occ A:I604 b:50.1 occ:1.00 O B:HOH66 3.1 19.3 1.0 CD A:PRO534 3.7 23.6 1.0 CA A:GLY538 3.8 19.2 1.0 N A:VAL535 4.0 21.1 1.0 CD1 B:TYR428 4.1 20.3 1.0 CE1 B:TYR428 4.2 19.6 1.0 CB A:VAL535 4.2 20.3 1.0 O A:VAL535 4.2 20.6 1.0 N A:GLY538 4.3 19.3 1.0 N A:PRO534 4.3 23.1 1.0 CG A:PRO534 4.3 23.6 1.0 CG2 A:VAL535 4.5 20.6 1.0 CD1 A:TYR533 4.5 22.3 1.0 CB A:PRO534 4.6 23.6 1.0 CA A:VAL535 4.6 20.7 1.0 CB A:TYR533 4.7 23.8 1.0 C A:GLY538 4.8 19.4 1.0 CA A:PRO534 4.8 23.2 1.0 C A:VAL535 4.9 20.5 1.0 C A:PRO534 4.9 23.0 1.0 C A:TYR533 4.9 23.6 1.0 CA A:TYR533 5.0 23.6 1.0

Iodine binding site 4 out of 11 in the Crystal Structure of Permease Family Protein From Vibrio Cholerae


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 Permease Family Protein From Vibrio Cholerae within 5.0Å range: probe atom residue distance (Å) B Occ A:I605 b:47.0 occ:0.50 NH1 A:ARG476 3.7 27.9 1.0 CD A:ARG476 4.0 26.4 1.0 CB A:ALA446 4.1 27.8 1.0 CH2 A:TRP479 4.5 40.1 1.0 CZ3 A:TRP479 4.5 39.4 1.0 CZ A:ARG476 4.5 27.0 1.0 NE A:ARG476 4.7 26.7 1.0 CG1 A:VAL444 4.8 23.5 1.0

Iodine binding site 5 out of 11 in the Crystal Structure of Permease Family Protein From Vibrio Cholerae


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 Permease Family Protein From Vibrio Cholerae within 5.0Å range: probe atom residue distance (Å) B Occ A:I607 b:81.0 occ:0.50 CD A:ARG440 3.9 29.5 1.0 CG A:ARG440 4.1 25.5 1.0 CB A:ARG440 4.5 22.9 1.0 CA A:ARG440 4.7 22.5 1.0

Iodine binding site 6 out of 11 in the Crystal Structure of Permease Family Protein From Vibrio Cholerae


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 Permease Family Protein From Vibrio Cholerae within 5.0Å range: probe atom residue distance (Å) B Occ A:I552 b:95.5 occ:0.50 O A:HOH8 3.3 21.8 1.0 N A:LYS525 3.6 28.1 1.0 CA A:LYS525 3.7 29.0 1.0 CB A:LYS525 3.7 29.4 1.0 OE2 A:GLU529 4.0 33.8 1.0 CG1 A:VAL524 4.1 27.4 1.0 C A:VAL524 4.2 27.6 1.0 CB A:VAL524 4.3 27.1 1.0 CG A:GLU529 4.5 28.9 1.0 O A:VAL524 4.7 28.1 1.0 CD A:GLU529 4.8 31.9 1.0 CG A:LYS525 4.9 31.1 1.0 CA A:VAL524 4.9 27.2 1.0

Iodine binding site 7 out of 11 in the Crystal Structure of Permease Family Protein From Vibrio Cholerae


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 Permease Family Protein From Vibrio Cholerae within 5.0Å range: probe atom residue distance (Å) B Occ B:I601 b:44.5 occ:1.00 CG B:ARG513 3.3 29.5 1.0 NZ B:LYS517 3.4 29.5 1.0 CD B:ARG513 3.6 33.7 1.0 N B:MSE483 3.7 26.1 1.0 O B:MSE483 3.7 28.8 1.0 CB B:PHE482 4.0 24.1 1.0 CA B:PHE482 4.1 24.5 1.0 CG B:LYS517 4.2 27.6 1.0 CD B:LYS517 4.2 29.2 1.0 NE B:ARG513 4.2 37.0 1.0 CB B:LYS517 4.3 26.2 1.0 C B:PHE482 4.4 25.2 1.0 CE B:LYS517 4.5 29.8 1.0 C B:MSE483 4.5 27.6 1.0 O B:ARG513 4.5 24.1 1.0 CA B:MSE483 4.6 27.4 1.0 C B:ARG513 4.6 24.8 1.0 CB B:ARG513 4.7 26.5 1.0 N B:VAL514 4.8 23.6 1.0 CA B:VAL514 5.0 23.5 1.0

Iodine binding site 8 out of 11 in the Crystal Structure of Permease Family Protein From Vibrio Cholerae


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 Permease Family Protein From Vibrio Cholerae within 5.0Å range: probe atom residue distance (Å) B Occ B:I602 b:57.4 occ:1.00 CD B:PRO534 3.6 24.4 1.0 CA B:GLY538 3.7 18.3 1.0 O A:HOH17 3.8 79.7 1.0 N B:VAL535 4.1 21.8 1.0 CD1 A:TYR428 4.1 23.7 1.0 CE1 A:TYR428 4.1 25.1 1.0 CG B:PRO534 4.2 24.7 1.0 N B:PRO534 4.2 24.1 1.0 O B:VAL535 4.2 20.4 1.0 N B:GLY538 4.2 18.6 1.0 CD1 B:TYR533 4.4 24.0 1.0 CB B:VAL535 4.4 21.1 1.0 CB B:PRO534 4.5 24.2 1.0 CB B:TYR533 4.6 24.9 1.0 CA B:VAL535 4.7 21.0 1.0 C B:GLY538 4.7 18.2 1.0 CA B:PRO534 4.8 23.9 1.0 C B:TYR533 4.8 24.4 1.0 C B:VAL535 4.9 20.8 1.0 C B:PRO534 4.9 23.3 1.0 CA B:TYR533 4.9 24.9 1.0 CG B:TYR533 5.0 24.8 1.0

Iodine binding site 9 out of 11 in the Crystal Structure of Permease Family Protein From Vibrio Cholerae


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 Permease Family Protein From Vibrio Cholerae within 5.0Å range: probe atom residue distance (Å) B Occ B:I603 b:80.7 occ:1.00 CD B:ARG440 3.8 30.3 1.0 CG B:ARG440 4.1 25.6 1.0 CB B:ARG440 4.4 22.1 1.0 CA B:ARG440 4.8 21.9 1.0 NE B:ARG440 4.8 35.0 1.0

Iodine binding site 10 out of 11 in the Crystal Structure of Permease Family Protein From Vibrio Cholerae


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 Permease Family Protein From Vibrio Cholerae within 5.0Å range: probe atom residue distance (Å) B Occ B:I604 b:37.7 occ:0.50 O B:HOH59 3.1 34.4 1.0 NE B:ARG476 3.2 25.0 1.0 OG B:SER508 3.4 23.2 1.0 CB B:LYS478 3.5 30.6 1.0 CB B:ARG476 3.6 23.3 1.0 CA B:GLY509 3.7 24.3 1.0 NH2 B:ARG476 3.7 27.4 1.0 O B:SER508 3.7 23.6 1.0 CB B:PHE536 3.8 19.1 1.0 N B:LYS478 3.9 28.1 1.0 C B:SER508 3.9 23.2 1.0 CZ B:ARG476 3.9 26.7 1.0 CA B:ARG476 3.9 23.6 1.0 CG B:ARG476 4.0 22.8 1.0 N B:GLY509 4.0 23.9 1.0 N B:LEU477 4.1 24.7 1.0 CD B:ARG476 4.1 24.7 1.0 CA B:LYS478 4.2 29.8 1.0 CB B:SER508 4.3 23.1 1.0 CD B:LYS478 4.3 37.1 1.0 N B:PHE536 4.3 20.4 1.0 C B:ARG476 4.3 24.5 1.0 CA B:PHE536 4.4 19.6 1.0 CG B:LYS478 4.4 32.8 1.0 CG B:PHE536 4.6 16.9 1.0 CA B:SER508 4.7 23.1 1.0 C B:GLY509 4.8 24.4 1.0 CD1 B:PHE536 4.9 15.4 1.0 C B:LEU477 4.9 26.9 1.0

C.Chang, N.Marshall, J.Bearden, A.Joachimiak. Crystal Structure of Permease Family Protein From Vibrio Cholerae To Be Published.