Iodine in PDB 4hjh: Iodide Sad Phased Crystal Structure of A Phosphoglucomutase From Brucella Melitensis Complexed with Glucose-6-Phosphate

All present enzymatic activity of Iodide Sad Phased Crystal Structure of A Phosphoglucomutase From Brucella Melitensis Complexed with Glucose-6-Phosphate:
5.4.2.8;

The structure of Iodide Sad Phased Crystal Structure of A Phosphoglucomutase From Brucella Melitensis Complexed with Glucose-6-Phosphate, PDB code: 4hjh 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)	46.01 / 2.10
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	61.950, 55.980, 131.670, 90.00, 92.18, 90.00
R / Rfree (%)	17.4 / 20.9

The structure of Iodide Sad Phased Crystal Structure of A Phosphoglucomutase From Brucella Melitensis Complexed with Glucose-6-Phosphate also contains other interesting chemical elements:

Magnesium

(Mg)

2 atoms

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 - 75;

Binding sites:

The binding sites of Iodine atom in the Iodide Sad Phased Crystal Structure of A Phosphoglucomutase From Brucella Melitensis Complexed with Glucose-6-Phosphate (pdb code 4hjh). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 75 binding sites of Iodine where determined in the Iodide Sad Phased Crystal Structure of A Phosphoglucomutase From Brucella Melitensis Complexed with Glucose-6-Phosphate, PDB code: 4hjh:
Jump to Iodine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iodine binding site 1 out of 75 in the Iodide Sad Phased Crystal Structure of A Phosphoglucomutase From Brucella Melitensis Complexed with Glucose-6-Phosphate


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Iodide Sad Phased Crystal Structure of A Phosphoglucomutase From Brucella Melitensis Complexed with Glucose-6-Phosphate within 5.0Å range: probe atom residue distance (Å) B Occ A:I501 b:31.0 occ:1.00 ND2 A:ASN21 3.7 22.6 1.0 O A:HOH838 3.9 31.0 1.0 CB A:SER57 4.1 16.3 1.0 O A:ALA17 4.1 21.9 1.0 CA A:VAL18 4.2 25.4 1.0 C A:ALA17 4.2 22.0 1.0 N A:VAL18 4.2 23.6 1.0 CB A:ASN21 4.2 21.1 1.0 CB A:ALA17 4.4 20.5 1.0 CG A:ASN21 4.5 21.9 1.0 O A:HOH797 4.6 30.1 1.0 CB A:VAL18 4.7 27.2 1.0 O A:HOH836 4.7 32.9 1.0 CG2 A:VAL18 4.9 29.1 1.0 CA A:SER57 5.0 16.4 1.0 OG A:SER57 5.0 15.1 1.0

Iodine binding site 2 out of 75 in the Iodide Sad Phased Crystal Structure of A Phosphoglucomutase From Brucella Melitensis Complexed with Glucose-6-Phosphate


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of Iodide Sad Phased Crystal Structure of A Phosphoglucomutase From Brucella Melitensis Complexed with Glucose-6-Phosphate within 5.0Å range: probe atom residue distance (Å) B Occ A:I502 b:19.0 occ:1.00 O A:HOH852 3.2 33.2 1.0 OG1 A:THR196 3.3 12.9 1.0 O A:HOH853 3.8 34.6 1.0 CB A:THR196 3.9 12.6 1.0 CD1 A:TYR192 4.0 11.4 1.0 CA A:LEU193 4.1 9.8 1.0 CG2 A:THR196 4.2 13.3 1.0 CB A:ALA160 4.2 10.2 1.0 O A:TYR192 4.3 11.6 1.0 CD1 A:LEU193 4.3 9.6 1.0 N A:LEU193 4.5 10.1 1.0 C A:TYR192 4.5 10.9 1.0 CB A:ALA164 4.5 11.9 1.0 CB A:LEU193 4.6 9.0 1.0 CE1 A:TYR192 4.6 11.2 1.0 O A:HOH854 4.8 33.2 1.0 O A:HOH636 4.8 16.8 1.0 O A:ALA160 4.9 10.0 1.0

Iodine binding site 3 out of 75 in the Iodide Sad Phased Crystal Structure of A Phosphoglucomutase From Brucella Melitensis Complexed with Glucose-6-Phosphate


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 3 of Iodide Sad Phased Crystal Structure of A Phosphoglucomutase From Brucella Melitensis Complexed with Glucose-6-Phosphate within 5.0Å range: probe atom residue distance (Å) B Occ A:I503 b:47.3 occ:0.96 NH1 A:ARG176 3.1 21.0 1.0 NH2 A:ARG176 3.9 21.4 1.0 CZ A:ARG176 3.9 20.8 1.0 CD2 A:LEU235 4.2 15.1 1.0 O A:HOH667 4.2 15.5 1.0 CB A:ARG234 4.4 21.3 1.0 CG1 A:VAL202 4.4 15.5 1.0 CG2 A:VAL202 4.4 15.2 1.0 CG A:LEU235 4.4 14.8 1.0 OG A:SER232 4.6 31.2 1.0 CD1 A:LEU235 4.7 14.1 1.0 CB A:VAL202 4.8 14.5 1.0

Iodine binding site 4 out of 75 in the Iodide Sad Phased Crystal Structure of A Phosphoglucomutase From Brucella Melitensis Complexed with Glucose-6-Phosphate


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 4 of Iodide Sad Phased Crystal Structure of A Phosphoglucomutase From Brucella Melitensis Complexed with Glucose-6-Phosphate within 5.0Å range: probe atom residue distance (Å) B Occ A:I504 b:35.2 occ:0.39 O A:HOH644 2.9 15.0 1.0 O A:HOH626 3.2 26.9 1.0 NE A:ARG206 3.5 15.2 1.0 O A:HOH869 3.6 23.1 1.0 CB A:ASP208 3.8 23.5 1.0 CD A:ARG206 3.8 15.5 1.0 CA A:ASP208 3.9 21.1 1.0 O A:SER207 4.0 16.8 1.0 NH2 A:ARG187 4.0 12.9 1.0 N A:ASP208 4.1 19.9 1.0 NH1 A:ARG187 4.1 12.3 1.0 C A:SER207 4.2 17.8 1.0 CG A:ARG206 4.2 14.7 1.0 CZ A:ARG187 4.4 12.1 1.0 CZ A:ARG206 4.6 14.3 1.0 NH1 A:ARG206 4.9 14.4 1.0

Iodine binding site 5 out of 75 in the Iodide Sad Phased Crystal Structure of A Phosphoglucomutase From Brucella Melitensis Complexed with Glucose-6-Phosphate


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 5 of Iodide Sad Phased Crystal Structure of A Phosphoglucomutase From Brucella Melitensis Complexed with Glucose-6-Phosphate within 5.0Å range: probe atom residue distance (Å) B Occ A:I505 b:24.9 occ:0.73 O A:HOH846 3.0 39.2 1.0 O A:HOH844 3.2 18.1 1.0 NE A:ARG297 3.5 18.3 1.0 N A:ARG297 3.6 11.6 1.0 NH2 A:ARG297 3.8 20.8 1.0 O A:HOH845 3.9 30.2 1.0 CA A:THR296 4.0 10.2 1.0 CB A:THR296 4.1 9.8 1.0 CG A:ARG297 4.1 15.4 1.0 CZ A:ARG297 4.1 20.3 1.0 CB A:ARG297 4.3 13.8 1.0 CB A:TYR302 4.3 11.7 1.0 C A:THR296 4.3 10.6 1.0 O A:HOH899 4.4 45.2 1.0 CD1 A:TYR302 4.4 14.4 1.0 CD A:ARG297 4.5 17.4 1.0 CA A:ARG297 4.6 12.1 1.0 CG2 A:THR296 4.6 9.7 1.0 CG A:TYR302 4.7 13.0 1.0 OG A:SER306 4.8 13.8 1.0 O A:TYR302 4.9 11.0 1.0

Iodine binding site 6 out of 75 in the Iodide Sad Phased Crystal Structure of A Phosphoglucomutase From Brucella Melitensis Complexed with Glucose-6-Phosphate


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 6 of Iodide Sad Phased Crystal Structure of A Phosphoglucomutase From Brucella Melitensis Complexed with Glucose-6-Phosphate within 5.0Å range: probe atom residue distance (Å) B Occ A:I506 b:30.5 occ:0.78 O A:HOH776 3.2 19.6 1.0 N A:ALA308 3.9 16.5 1.0 CB A:MET307 4.0 12.2 1.0 CA A:ALA308 4.1 18.7 1.0 CB A:PRO344 4.1 13.0 1.0 C A:MET307 4.3 15.0 1.0 CB A:ALA308 4.5 19.4 1.0 CE A:MET307 4.6 10.7 1.0 O A:ILE304 4.6 12.5 1.0 O A:MET307 4.6 15.3 1.0 O A:GLY330 4.6 13.5 1.0 CA A:GLY330 4.7 10.9 1.0 CG A:PRO344 4.8 13.6 1.0 CA A:MET307 4.8 13.2 1.0 CG2 A:ILE304 5.0 12.4 1.0

Iodine binding site 7 out of 75 in the Iodide Sad Phased Crystal Structure of A Phosphoglucomutase From Brucella Melitensis Complexed with Glucose-6-Phosphate


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 7 of Iodide Sad Phased Crystal Structure of A Phosphoglucomutase From Brucella Melitensis Complexed with Glucose-6-Phosphate within 5.0Å range: probe atom residue distance (Å) B Occ A:I507 b:34.3 occ:0.68 CD2 A:LEU175 3.8 15.3 1.0 CD2 A:HIS360 3.9 13.1 1.0 C A:GLY174 4.1 17.3 1.0 O A:GLY174 4.2 17.8 1.0 CA A:GLY174 4.3 18.1 1.0 N A:LEU175 4.4 16.1 1.0 CG A:LEU175 4.4 14.6 1.0 NE2 A:HIS360 4.5 13.9 1.0 O A:ASN173 4.5 17.7 1.0 CG A:HIS360 4.7 12.2 1.0 CA A:HIS360 4.7 11.7 1.0 CA A:LEU175 4.8 15.4 1.0

Iodine binding site 8 out of 75 in the Iodide Sad Phased Crystal Structure of A Phosphoglucomutase From Brucella Melitensis Complexed with Glucose-6-Phosphate


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 8 of Iodide Sad Phased Crystal Structure of A Phosphoglucomutase From Brucella Melitensis Complexed with Glucose-6-Phosphate within 5.0Å range: probe atom residue distance (Å) B Occ A:I508 b:25.4 occ:0.96 O A:HOH828 2.9 25.1 1.0 NZ A:LYS362 4.1 16.4 1.0 CB A:SER372 4.1 10.8 1.0 CA A:ILE369 4.2 9.7 1.0 CG1 A:ILE369 4.3 10.8 1.0 OG A:SER372 4.3 10.4 1.0 CG2 A:THR368 4.4 11.4 1.0 O A:THR368 4.4 9.5 1.0 CD A:LYS362 4.5 14.8 1.0 CG2 A:THR364 4.5 12.5 1.0 N A:ILE369 4.5 9.8 1.0 C A:THR368 4.6 9.7 1.0 CB A:ILE369 4.9 9.9 1.0 CE A:LYS362 4.9 14.8 1.0 O A:HOH779 4.9 27.2 1.0 O A:HOH780 5.0 18.2 1.0

Iodine binding site 9 out of 75 in the Iodide Sad Phased Crystal Structure of A Phosphoglucomutase From Brucella Melitensis Complexed with Glucose-6-Phosphate


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 9 of Iodide Sad Phased Crystal Structure of A Phosphoglucomutase From Brucella Melitensis Complexed with Glucose-6-Phosphate within 5.0Å range: probe atom residue distance (Å) B Occ A:I509 b:32.1 occ:0.62 O A:HOH788 3.1 33.1 1.0 C A:ASN385 3.8 21.0 1.0 O A:ASN385 3.9 21.8 1.0 CA A:ASN385 3.9 21.3 1.0 CB A:PRO442 4.0 18.3 1.0 CD A:PRO387 4.1 23.0 1.0 CG A:PRO387 4.1 24.5 1.0 CG A:PRO442 4.1 19.4 1.0 N A:PRO387 4.2 21.8 1.0 CB A:ASN385 4.3 23.0 1.0 N A:ILE386 4.3 19.8 1.0 CA A:PRO387 4.5 22.5 1.0 C A:ILE386 4.6 20.3 1.0 CB A:PRO387 4.7 24.1 1.0 ND2 A:ASN385 4.9 24.1 1.0 CA A:ILE386 4.9 19.7 1.0

Iodine binding site 10 out of 75 in the Iodide Sad Phased Crystal Structure of A Phosphoglucomutase From Brucella Melitensis Complexed with Glucose-6-Phosphate


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 10 of Iodide Sad Phased Crystal Structure of A Phosphoglucomutase From Brucella Melitensis Complexed with Glucose-6-Phosphate within 5.0Å range: probe atom residue distance (Å) B Occ A:I510 b:32.0 occ:0.63 O A:HOH911 3.6 29.6 1.0 CD1 A:ILE386 4.1 19.2 1.0 CB A:ALA390 4.1 22.1 1.0 CB A:LEU471 4.3 21.1 1.0 CD A:PRO387 4.3 23.0 1.0 O A:LEU471 4.5 26.3 1.0 CD2 A:LEU471 4.6 20.1 1.0 CG2 A:ILE386 4.7 18.3 1.0 C A:LEU471 4.8 25.1 1.0 CA A:ILE386 4.9 19.7 1.0 CG A:LEU471 4.9 19.5 1.0 O A:ASN385 4.9 21.8 1.0

J.W.Fairman, T.K.Craig, B.L.Staker. Iodide Sad Phased Crystal Structure of A Phosphoglucomutase From Brucella Melitensis Complexed with Glucose-6-Phosphate To Be Published.