Iodine in PDB 3pfd: Crystal Structure of An Acyl-Coa Dehydrogenase From Mycobacterium Thermoresistibile Bound to Reduced Flavin Adenine Dinucleotide Solved By Combined Iodide Ion Sad Mr

All present enzymatic activity of Crystal Structure of An Acyl-Coa Dehydrogenase From Mycobacterium Thermoresistibile Bound to Reduced Flavin Adenine Dinucleotide Solved By Combined Iodide Ion Sad Mr:
1.3.99.3;

The structure of Crystal Structure of An Acyl-Coa Dehydrogenase From Mycobacterium Thermoresistibile Bound to Reduced Flavin Adenine Dinucleotide Solved By Combined Iodide Ion Sad Mr, PDB code: 3pfd was solved by Seattle Structural Genomics Center For Infectious Disease (Ssgcid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.10
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	74.430, 114.550, 92.770, 90.00, 92.13, 90.00
R / Rfree (%)	16.9 / 20.7

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 30; Page 4, Binding sites: 31 - 40; Page 5, Binding sites: 41 - 50; Page 6, Binding sites: 51 - 60; Page 7, Binding sites: 61 - 70; Page 8, Binding sites: 71 - 80; Page 9, Binding sites: 81 - 90; Page 10, Binding sites: 91 - 100; Page 11, Binding sites: 101 - 109;

Binding sites:

The binding sites of Iodine atom in the Crystal Structure of An Acyl-Coa Dehydrogenase From Mycobacterium Thermoresistibile Bound to Reduced Flavin Adenine Dinucleotide Solved By Combined Iodide Ion Sad Mr (pdb code 3pfd). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 109 binding sites of Iodine where determined in the Crystal Structure of An Acyl-Coa Dehydrogenase From Mycobacterium Thermoresistibile Bound to Reduced Flavin Adenine Dinucleotide Solved By Combined Iodide Ion Sad Mr, PDB code: 3pfd:
Jump to Iodine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iodine binding site 1 out of 109 in the Crystal Structure of An Acyl-Coa Dehydrogenase From Mycobacterium Thermoresistibile Bound to Reduced Flavin Adenine Dinucleotide Solved By Combined Iodide Ion Sad Mr


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 An Acyl-Coa Dehydrogenase From Mycobacterium Thermoresistibile Bound to Reduced Flavin Adenine Dinucleotide Solved By Combined Iodide Ion Sad Mr within 5.0Å range: probe atom residue distance (Å) B Occ A:I391 b:37.3 occ:0.62 I A:IOD392 3.0 34.3 0.4 CD2 A:HIS19 3.7 30.3 1.0 O A:GLU18 4.0 30.2 1.0 CB A:ALA78 4.1 15.8 1.0 NE2 A:HIS19 4.2 30.2 1.0 CB A:LEU22 4.3 24.2 1.0 CD1 A:LEU22 4.4 22.1 1.0 CD2 A:LEU22 4.5 25.4 1.0 C A:GLU18 4.6 32.1 1.0 CG A:LEU22 4.6 22.9 1.0 OD2 A:ASP75 4.9 33.0 1.0 N A:HIS19 4.9 31.2 1.0 CG A:HIS19 4.9 30.9 1.0 CA A:HIS19 5.0 30.7 1.0

Iodine binding site 2 out of 109 in the Crystal Structure of An Acyl-Coa Dehydrogenase From Mycobacterium Thermoresistibile Bound to Reduced Flavin Adenine Dinucleotide Solved By Combined Iodide Ion Sad Mr


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 An Acyl-Coa Dehydrogenase From Mycobacterium Thermoresistibile Bound to Reduced Flavin Adenine Dinucleotide Solved By Combined Iodide Ion Sad Mr within 5.0Å range: probe atom residue distance (Å) B Occ A:I392 b:34.3 occ:0.39 OD2 A:ASP75 3.0 33.0 1.0 I A:IOD391 3.0 37.3 0.6 N A:ASP75 3.5 20.5 1.0 CG A:ASP75 3.9 26.0 1.0 CA A:ALA74 3.9 20.4 1.0 CB A:ALA78 4.0 15.8 1.0 CB A:ALA74 4.1 19.9 1.0 NE2 A:HIS19 4.2 30.2 1.0 C A:ALA74 4.2 20.1 1.0 CB A:ASP75 4.3 22.1 1.0 CA A:ASP75 4.5 20.8 1.0 CD2 A:HIS19 4.6 30.3 1.0 OD1 A:ASP75 4.8 31.7 1.0

Iodine binding site 3 out of 109 in the Crystal Structure of An Acyl-Coa Dehydrogenase From Mycobacterium Thermoresistibile Bound to Reduced Flavin Adenine Dinucleotide Solved By Combined Iodide Ion Sad Mr


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 An Acyl-Coa Dehydrogenase From Mycobacterium Thermoresistibile Bound to Reduced Flavin Adenine Dinucleotide Solved By Combined Iodide Ion Sad Mr within 5.0Å range: probe atom residue distance (Å) B Occ A:I393 b:40.0 occ:0.40 CA A:LEU22 4.1 23.9 1.0 CB A:ALA25 4.2 20.4 1.0 CD1 A:LEU22 4.2 22.1 1.0 CZ A:PHE60 4.3 24.7 1.0 N A:LEU22 4.6 25.0 1.0 CB A:LEU22 4.6 24.2 1.0 CE1 A:PHE60 4.8 25.7 1.0 O A:ALA21 4.9 26.1 1.0 C A:ALA21 4.9 26.2 1.0 CG A:LEU22 5.0 22.9 1.0

Iodine binding site 4 out of 109 in the Crystal Structure of An Acyl-Coa Dehydrogenase From Mycobacterium Thermoresistibile Bound to Reduced Flavin Adenine Dinucleotide Solved By Combined Iodide Ion Sad Mr


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 An Acyl-Coa Dehydrogenase From Mycobacterium Thermoresistibile Bound to Reduced Flavin Adenine Dinucleotide Solved By Combined Iodide Ion Sad Mr within 5.0Å range: probe atom residue distance (Å) B Occ A:I394 b:40.7 occ:0.61 NE A:ARG23 3.5 18.9 1.0 NH2 A:ARG23 3.7 15.0 1.0 N A:ILE20 3.9 29.5 1.0 C A:HIS19 4.0 30.1 1.0 CG1 A:ILE20 4.0 32.0 1.0 CZ A:ARG23 4.1 18.7 1.0 CA A:ILE20 4.1 28.9 1.0 O A:HIS19 4.1 29.8 1.0 CB A:HIS19 4.1 30.7 1.0 CD1 A:ILE20 4.2 34.6 1.0 CD1 A:ILE81 4.5 14.3 1.0 CD A:ARG23 4.6 19.2 1.0 CB A:ILE20 4.7 30.0 1.0 CB A:ARG23 4.7 20.4 1.0 CA A:HIS19 4.7 30.7 1.0

Iodine binding site 5 out of 109 in the Crystal Structure of An Acyl-Coa Dehydrogenase From Mycobacterium Thermoresistibile Bound to Reduced Flavin Adenine Dinucleotide Solved By Combined Iodide Ion Sad Mr


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 An Acyl-Coa Dehydrogenase From Mycobacterium Thermoresistibile Bound to Reduced Flavin Adenine Dinucleotide Solved By Combined Iodide Ion Sad Mr within 5.0Å range: probe atom residue distance (Å) B Occ A:I395 b:36.1 occ:0.60 O A:HOH514 3.2 39.6 1.0 CG A:GLU24 4.0 29.4 1.0 CD A:ARG23 4.0 19.2 1.0 CG A:ARG23 4.2 19.8 1.0 CD A:ARG27 4.3 27.6 1.0 CA A:GLU24 4.4 23.2 1.0 N A:GLU24 4.4 21.5 1.0 NE A:ARG27 4.5 31.5 1.0 C A:ARG23 4.6 21.2 1.0 O A:ARG23 4.6 19.9 1.0 CZ A:ARG27 4.7 31.8 1.0 NH2 A:ARG27 4.7 32.1 1.0 O A:HOH524 4.7 33.2 1.0 CB A:ARG23 4.7 20.4 1.0 CB A:ARG27 4.8 20.4 1.0 CB A:GLU24 4.8 23.9 1.0

Iodine binding site 6 out of 109 in the Crystal Structure of An Acyl-Coa Dehydrogenase From Mycobacterium Thermoresistibile Bound to Reduced Flavin Adenine Dinucleotide Solved By Combined Iodide Ion Sad Mr


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 An Acyl-Coa Dehydrogenase From Mycobacterium Thermoresistibile Bound to Reduced Flavin Adenine Dinucleotide Solved By Combined Iodide Ion Sad Mr within 5.0Å range: probe atom residue distance (Å) B Occ A:I396 b:34.9 occ:0.43 O A:HOH439 2.4 25.3 1.0 O A:HOH541 3.6 26.9 1.0 O A:HOH568 3.6 30.2 1.0 N A:GLU40 4.0 16.8 1.0 CA A:GLU40 4.0 17.4 1.0 CB A:GLU43 4.1 16.5 1.0 C A:ALA39 4.2 16.7 1.0 CB A:ALA39 4.3 17.2 1.0 O A:ALA39 4.4 16.7 1.0 CB A:GLU40 4.4 18.3 1.0 NH1 B:ARG209 4.7 38.8 1.0 O A:HOH476 4.9 23.2 1.0 CA A:ALA39 4.9 16.1 1.0

Iodine binding site 7 out of 109 in the Crystal Structure of An Acyl-Coa Dehydrogenase From Mycobacterium Thermoresistibile Bound to Reduced Flavin Adenine Dinucleotide Solved By Combined Iodide Ion Sad Mr


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 An Acyl-Coa Dehydrogenase From Mycobacterium Thermoresistibile Bound to Reduced Flavin Adenine Dinucleotide Solved By Combined Iodide Ion Sad Mr within 5.0Å range: probe atom residue distance (Å) B Occ A:I397 b:32.8 occ:0.88 O A:HOH573 3.3 26.0 1.0 O A:HOH538 3.6 32.1 1.0 N A:LYS210 3.8 13.8 1.0 O A:HOH504 3.8 37.6 1.0 CB A:ALA45 3.9 17.2 1.0 CA A:ARG209 3.9 15.4 1.0 CD A:LYS214 4.0 23.6 1.0 CB A:ARG209 4.1 16.6 1.0 CE A:LYS214 4.1 27.4 1.0 C A:ARG209 4.3 15.3 1.0 CG A:LYS214 4.4 17.9 1.0 OE1 B:GLN355 4.4 32.5 1.0 O A:LYS210 4.5 13.8 1.0 CB A:LYS214 4.6 14.9 1.0 O A:GLU208 4.7 15.1 1.0 CA A:LYS210 4.9 13.8 1.0 NZ A:LYS214 5.0 30.5 1.0

Iodine binding site 8 out of 109 in the Crystal Structure of An Acyl-Coa Dehydrogenase From Mycobacterium Thermoresistibile Bound to Reduced Flavin Adenine Dinucleotide Solved By Combined Iodide Ion Sad Mr


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 An Acyl-Coa Dehydrogenase From Mycobacterium Thermoresistibile Bound to Reduced Flavin Adenine Dinucleotide Solved By Combined Iodide Ion Sad Mr within 5.0Å range: probe atom residue distance (Å) B Occ A:I398 b:38.1 occ:0.75 N A:PHE47 3.5 16.0 1.0 CB A:PHE47 4.0 16.5 1.0 CB A:ARG46 4.0 18.4 1.0 O A:HOH552 4.1 42.2 1.0 CA A:ARG46 4.3 17.8 1.0 CA A:PHE47 4.4 15.8 1.0 C A:ARG46 4.4 17.1 1.0 NZ A:LYS171 4.6 28.9 1.0 O A:HOH551 4.9 26.0 1.0 CE A:LYS171 5.0 29.1 1.0

Iodine binding site 9 out of 109 in the Crystal Structure of An Acyl-Coa Dehydrogenase From Mycobacterium Thermoresistibile Bound to Reduced Flavin Adenine Dinucleotide Solved By Combined Iodide Ion Sad Mr


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 An Acyl-Coa Dehydrogenase From Mycobacterium Thermoresistibile Bound to Reduced Flavin Adenine Dinucleotide Solved By Combined Iodide Ion Sad Mr within 5.0Å range: probe atom residue distance (Å) B Occ A:I399 b:30.5 occ:0.42 I A:IOD400 2.5 30.1 0.5 O A:HOH575 3.3 30.0 1.0 NZ A:LYS101 3.3 27.6 1.0 O A:HOH523 3.5 23.0 1.0 CE A:LYS101 3.8 24.5 1.0 CE A:MET105 4.3 24.8 1.0 SD A:MET105 4.3 24.8 0.7 CB A:SER76 4.3 19.3 1.0 O A:HOH483 4.7 33.7 1.0 CA A:SER76 4.7 19.1 1.0 CB A:HIS64 4.9 16.7 1.0 ND1 A:HIS250 5.0 26.3 1.0 N A:SER76 5.0 18.9 1.0

Iodine binding site 10 out of 109 in the Crystal Structure of An Acyl-Coa Dehydrogenase From Mycobacterium Thermoresistibile Bound to Reduced Flavin Adenine Dinucleotide Solved By Combined Iodide Ion Sad Mr


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 An Acyl-Coa Dehydrogenase From Mycobacterium Thermoresistibile Bound to Reduced Flavin Adenine Dinucleotide Solved By Combined Iodide Ion Sad Mr within 5.0Å range: probe atom residue distance (Å) B Occ A:I400 b:30.1 occ:0.53 I A:IOD399 2.5 30.5 0.4 ND1 A:HIS250 3.0 26.3 1.0 NZ A:LYS101 3.4 27.6 1.0 CB A:HIS250 3.8 24.5 1.0 CG A:HIS250 3.8 25.2 1.0 I A:IOD401 3.9 26.6 0.7 CB A:SER76 3.9 19.3 1.0 CE1 A:HIS250 4.1 26.5 1.0 O A:HIS250 4.2 25.0 1.0 CA A:GLU316 4.3 34.5 1.0 CB A:GLU316 4.3 34.4 1.0 CA A:HIS250 4.4 24.3 1.0 N A:GLU316 4.4 32.3 1.0 CE A:LYS101 4.6 24.5 1.0 CB A:ALA315 4.6 27.4 1.0 C A:ALA315 4.7 30.3 1.0 CE A:MET105 4.7 24.8 1.0 OG A:SER76 4.8 22.4 1.0 C A:HIS250 4.8 23.6 1.0 O A:ALA315 4.9 31.5 1.0 O A:HOH472 5.0 15.3 1.0

J.Abendroth, A.S.Gardberg, J.I.Robinson, J.S.Christensen, B.L.Staker, P.J.Myler, L.J.Stewart, T.E.Edwards. Sad Phasing Using Iodide Ions in A High-Throughput Structural Genomics Environment. J.Struct.Funct.Genom. V. 12 83 2011.
ISSN: ISSN 1345-711X
PubMed: 21359836
DOI: 10.1007/S10969-011-9101-7