Iodine in PDB 3pm6: Crystal Structure of A Putative Fructose-1,6-Biphosphate Aldolase From Coccidioides Immitis Solved By Combined Sad Mr

All present enzymatic activity of Crystal Structure of A Putative Fructose-1,6-Biphosphate Aldolase From Coccidioides Immitis Solved By Combined Sad Mr:
4.1.2.13;

The structure of Crystal Structure of A Putative Fructose-1,6-Biphosphate Aldolase From Coccidioides Immitis Solved By Combined Sad Mr, PDB code: 3pm6 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 / 2.20
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	57.910, 77.770, 68.320, 90.00, 93.71, 90.00
R / Rfree (%)	19.8 / 23.7

The structure of Crystal Structure of A Putative Fructose-1,6-Biphosphate Aldolase From Coccidioides Immitis Solved By Combined Sad Mr also contains other interesting chemical elements:

Zinc

(Zn)

2 atoms

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 30; Page 4, Binding sites: 31 - 33;

Binding sites:

The binding sites of Iodine atom in the Crystal Structure of A Putative Fructose-1,6-Biphosphate Aldolase From Coccidioides Immitis Solved By Combined Sad Mr (pdb code 3pm6). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 33 binding sites of Iodine where determined in the Crystal Structure of A Putative Fructose-1,6-Biphosphate Aldolase From Coccidioides Immitis Solved By Combined Sad Mr, PDB code: 3pm6:
Jump to Iodine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iodine binding site 1 out of 33 in the Crystal Structure of A Putative Fructose-1,6-Biphosphate Aldolase From Coccidioides Immitis Solved By Combined 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 A Putative Fructose-1,6-Biphosphate Aldolase From Coccidioides Immitis Solved By Combined Sad Mr within 5.0Å range: probe atom residue distance (Å) B Occ A:I303 b:36.4 occ:1.00 N A:GLN89 3.5 14.2 1.0 O A:HOH395 3.6 31.9 1.0 CG A:PRO56 3.7 16.8 1.0 CB A:ASP90 3.9 21.9 1.0 N A:ASP90 4.0 19.4 1.0 CB A:PRO56 4.0 18.0 1.0 O A:HOH429 4.1 26.8 1.0 CA A:GLN89 4.1 15.9 1.0 C A:GLN89 4.2 17.7 1.0 CB A:GLN89 4.2 15.7 1.0 O A:HIS87 4.4 15.1 1.0 O A:HOH386 4.5 22.8 1.0 C A:ALA88 4.6 13.9 1.0 CA A:ASP90 4.6 21.2 1.0 NE2 A:GLN60 4.7 38.4 1.0 CA A:ALA88 4.7 13.4 1.0 O A:GLN89 4.9 17.8 1.0 CG A:GLN89 5.0 12.9 1.0

Iodine binding site 2 out of 33 in the Crystal Structure of A Putative Fructose-1,6-Biphosphate Aldolase From Coccidioides Immitis Solved By Combined 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 A Putative Fructose-1,6-Biphosphate Aldolase From Coccidioides Immitis Solved By Combined Sad Mr within 5.0Å range: probe atom residue distance (Å) B Occ A:I304 b:49.1 occ:0.73 CD1 A:ILE93 3.2 31.5 1.0 CG1 A:ILE93 3.4 27.0 1.0 CD A:ARG96 3.9 32.5 1.0 NH2 A:ARG96 4.0 40.9 1.0 CA A:ILE93 4.2 24.0 1.0 N A:ILE93 4.3 25.1 1.0 C A:GLU92 4.5 25.3 1.0 O A:GLU92 4.5 25.5 1.0 CB A:ILE93 4.5 24.6 1.0 CB A:GLU92 4.6 25.8 1.0 CB A:ARG96 4.7 26.0 1.0 NE A:ARG96 4.9 35.5 1.0 CG A:ARG96 4.9 29.9 1.0 CZ A:ARG96 4.9 38.1 1.0

Iodine binding site 3 out of 33 in the Crystal Structure of A Putative Fructose-1,6-Biphosphate Aldolase From Coccidioides Immitis Solved By Combined 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 A Putative Fructose-1,6-Biphosphate Aldolase From Coccidioides Immitis Solved By Combined Sad Mr within 5.0Å range: probe atom residue distance (Å) B Occ A:I305 b:43.7 occ:0.54 NH1 A:ARG96 3.3 39.9 1.0 NE A:ARG96 3.4 35.5 1.0 CZ A:ARG96 3.8 38.1 1.0 C A:ASP63 3.9 32.3 1.0 CD2 A:LEU100 4.1 31.4 1.0 CG2 A:ILE59 4.1 25.4 1.0 O A:ASP63 4.1 31.9 1.0 CA A:ASP63 4.1 32.9 1.0 N A:SER64 4.2 31.7 1.0 CB A:ASP63 4.3 33.4 1.0 CD A:ARG96 4.6 32.5 1.0 CB A:SER64 4.6 31.6 1.0 O A:HOH461 4.7 33.5 1.0 CG A:ARG96 4.7 29.9 1.0 OD1 A:ASP63 4.7 33.8 1.0 CA A:SER64 4.7 31.5 1.0 CG A:LEU100 4.9 30.9 1.0 CD1 A:LEU100 4.9 29.2 1.0

Iodine binding site 4 out of 33 in the Crystal Structure of A Putative Fructose-1,6-Biphosphate Aldolase From Coccidioides Immitis Solved By Combined 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 A Putative Fructose-1,6-Biphosphate Aldolase From Coccidioides Immitis Solved By Combined Sad Mr within 5.0Å range: probe atom residue distance (Å) B Occ A:I306 b:49.3 occ:0.47 NZ A:LYS95 2.6 32.2 1.0 O A:HOH433 3.2 18.4 1.0 OE2 A:GLU131 3.4 43.7 1.0 CE A:LYS95 3.6 31.7 1.0 I A:IOD307 3.7 42.8 0.4 CG A:GLU131 3.8 32.5 1.0 O A:GLU131 3.9 26.4 1.0 CD A:GLU131 4.0 40.0 1.0 CD1 A:TYR135 4.1 25.6 1.0 CB A:TYR135 4.3 24.6 1.0 CD2 A:LEU132 4.3 19.7 1.0 C A:GLU131 4.3 26.3 1.0 CB A:GLU131 4.5 28.7 1.0 CG A:TYR135 4.5 25.1 1.0 CD A:LYS95 4.8 30.2 1.0 N A:LEU132 4.8 24.8 1.0 CA A:LEU132 4.9 23.7 1.0 CE1 A:TYR135 5.0 26.1 1.0 CG A:LYS95 5.0 25.1 1.0

Iodine binding site 5 out of 33 in the Crystal Structure of A Putative Fructose-1,6-Biphosphate Aldolase From Coccidioides Immitis Solved By Combined 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 A Putative Fructose-1,6-Biphosphate Aldolase From Coccidioides Immitis Solved By Combined Sad Mr within 5.0Å range: probe atom residue distance (Å) B Occ A:I307 b:42.8 occ:0.41 CD A:GLU131 3.2 40.0 1.0 OE1 A:GLU131 3.5 40.9 1.0 CG A:GLU131 3.5 32.5 1.0 OE2 A:GLU131 3.6 43.7 1.0 I A:IOD306 3.7 49.3 0.5 CD2 A:LEU132 4.0 19.7 1.0 CB A:PRO91 4.0 24.2 1.0 CD2 A:LEU128 4.0 21.4 1.0 CE A:LYS95 4.0 31.7 1.0 CG A:LEU132 4.2 22.1 1.0 NZ A:LYS95 4.4 32.2 1.0 CG A:PRO91 4.6 22.9 1.0 CD1 A:LEU132 4.7 20.0 1.0 CB A:GLU131 5.0 28.7 1.0

Iodine binding site 6 out of 33 in the Crystal Structure of A Putative Fructose-1,6-Biphosphate Aldolase From Coccidioides Immitis Solved By Combined 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 A Putative Fructose-1,6-Biphosphate Aldolase From Coccidioides Immitis Solved By Combined Sad Mr within 5.0Å range: probe atom residue distance (Å) B Occ A:I308 b:40.0 occ:1.00 NH1 A:ARG206 3.7 19.8 1.0 NH1 A:ARG209 3.9 44.4 1.0 CD A:PRO170 3.9 26.6 1.0 CD A:ARG209 4.0 35.6 1.0 CZ A:ARG206 4.1 22.2 1.0 CG A:ARG206 4.2 24.1 1.0 NH2 A:ARG206 4.5 15.9 1.0 CA A:ARG206 4.6 25.2 1.0 NE A:ARG206 4.7 21.4 1.0 CB A:ARG206 4.7 25.2 1.0 CG2 A:THR169 4.7 25.1 1.0 CA A:THR169 4.7 24.6 1.0 O A:THR168 4.8 22.3 1.0 CG A:PRO170 4.8 27.4 1.0 CZ A:ARG209 4.8 44.4 1.0 NE A:ARG209 4.8 42.8 1.0 CB A:ARG209 4.8 25.8 1.0 CB A:THR169 4.9 25.3 1.0 CD A:ARG206 5.0 23.0 1.0

Iodine binding site 7 out of 33 in the Crystal Structure of A Putative Fructose-1,6-Biphosphate Aldolase From Coccidioides Immitis Solved By Combined 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 A Putative Fructose-1,6-Biphosphate Aldolase From Coccidioides Immitis Solved By Combined Sad Mr within 5.0Å range: probe atom residue distance (Å) B Occ A:I309 b:54.9 occ:0.55 NH2 A:ARG239 3.5 30.7 1.0 NE A:ARG239 3.5 28.3 1.0 O A:HOH444 3.9 25.2 1.0 CG A:GLU205 4.0 33.3 1.0 CZ A:ARG239 4.0 30.1 1.0 CA A:GLU205 4.1 27.9 1.0 CB A:GLN208 4.1 25.7 1.0 O A:TYR204 4.2 26.2 1.0 N A:GLU205 4.3 26.3 1.0 C A:TYR204 4.4 25.4 1.0 CG A:GLN208 4.5 29.4 1.0 CB A:GLU205 4.6 28.2 1.0 CD A:ARG239 4.7 27.9 1.0

Iodine binding site 8 out of 33 in the Crystal Structure of A Putative Fructose-1,6-Biphosphate Aldolase From Coccidioides Immitis Solved By Combined 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 A Putative Fructose-1,6-Biphosphate Aldolase From Coccidioides Immitis Solved By Combined Sad Mr within 5.0Å range: probe atom residue distance (Å) B Occ A:I310 b:46.5 occ:0.67 N A:TYR204 3.6 24.1 1.0 O A:LEU202 4.0 24.0 1.0 N A:GLU205 4.1 26.3 1.0 CB A:TYR204 4.1 24.5 1.0 CD2 A:TYR204 4.2 22.6 1.0 CA A:TYR204 4.3 24.3 1.0 CA A:ASP203 4.4 24.5 1.0 OD1 A:ASP203 4.4 28.8 1.0 CG A:GLU205 4.4 33.3 1.0 C A:ASP203 4.4 24.1 1.0 CD A:GLU205 4.5 39.5 1.0 O A:HOH359 4.7 31.2 1.0 OE2 A:GLU205 4.7 41.9 1.0 CG A:TYR204 4.7 23.2 1.0 CB A:GLU205 4.7 28.2 1.0 C A:TYR204 4.7 25.4 1.0 C A:LEU202 5.0 24.2 1.0

Iodine binding site 9 out of 33 in the Crystal Structure of A Putative Fructose-1,6-Biphosphate Aldolase From Coccidioides Immitis Solved By Combined 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 A Putative Fructose-1,6-Biphosphate Aldolase From Coccidioides Immitis Solved By Combined Sad Mr within 5.0Å range: probe atom residue distance (Å) B Occ A:I311 b:44.3 occ:0.47 O A:HOH413 3.1 20.5 1.0 O A:HOH336 3.4 22.1 1.0 N A:TYR195 3.5 19.1 1.0 CA A:ASN194 3.8 19.8 1.0 CB A:PRO227 3.8 20.3 1.0 CG A:PRO227 3.8 18.7 1.0 OD1 A:ASN194 3.8 28.8 1.0 CG A:ASN194 3.9 26.2 1.0 CD2 A:TYR195 4.0 12.2 1.0 O A:HOH412 4.1 20.0 1.0 C A:ASN194 4.2 19.6 1.0 ND2 A:ASN194 4.3 29.4 1.0 CB A:TYR195 4.3 17.5 1.0 O A:HOH471 4.4 26.5 1.0 CB A:ASN194 4.4 20.6 1.0 O A:GLY193 4.5 19.1 1.0 CA A:TYR195 4.5 18.6 1.0 CG A:TYR195 4.7 14.9 1.0 CD A:PRO227 4.8 18.8 1.0 N A:ASN194 4.8 19.4 1.0 N A:GLY196 5.0 20.6 1.0

Iodine binding site 10 out of 33 in the Crystal Structure of A Putative Fructose-1,6-Biphosphate Aldolase From Coccidioides Immitis Solved By Combined 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 A Putative Fructose-1,6-Biphosphate Aldolase From Coccidioides Immitis Solved By Combined Sad Mr within 5.0Å range: probe atom residue distance (Å) B Occ A:I312 b:43.1 occ:1.00 O A:HOH336 3.7 22.1 1.0 O A:HOH419 3.7 26.9 1.0 O A:HOH440 3.8 27.1 1.0 CB A:ASP226 4.0 19.5 1.0 C A:ASP226 4.1 19.2 1.0 O A:ASP226 4.1 19.9 1.0 N A:PRO227 4.3 18.9 1.0 N A:ALA249 4.4 15.6 1.0 CA A:PRO227 4.4 19.5 1.0 CA A:ALA249 4.4 16.9 1.0 CB A:ARG248 4.5 15.1 1.0 ND2 A:ASN252 4.5 27.3 1.0 CA A:ASP226 4.7 19.0 1.0 CB A:PRO227 4.7 20.3 1.0 C A:ARG248 4.7 16.6 1.0 CG A:ASP226 4.8 22.0 1.0 CB A:ALA249 4.9 16.3 1.0 CD A:PRO227 5.0 18.8 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 Genomics V. 12 83 2011.
PubMed: 21359836
DOI: 10.1007/S10969-011-9101-7