Iodine in PDB 6xrs: Crystal Structure of A Gtp-Binding Protein Enga (Der Homolog) From Neisseria Gonorrhoeae Bound to Gdp

The structure of Crystal Structure of A Gtp-Binding Protein Enga (Der Homolog) From Neisseria Gonorrhoeae Bound to Gdp, PDB code: 6xrs 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)	46.98 / 2.80
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	138.160, 139.640, 127.000, 90.00, 90.00, 90.00
R / Rfree (%)	20.3 / 23.5

The structure of Crystal Structure of A Gtp-Binding Protein Enga (Der Homolog) From Neisseria Gonorrhoeae Bound to Gdp also contains other interesting chemical elements:

Chlorine

(Cl)

5 atoms

The binding sites of Iodine atom in the Crystal Structure of A Gtp-Binding Protein Enga (Der Homolog) From Neisseria Gonorrhoeae Bound to Gdp (pdb code 6xrs). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 4 binding sites of Iodine where determined in the Crystal Structure of A Gtp-Binding Protein Enga (Der Homolog) From Neisseria Gonorrhoeae Bound to Gdp, PDB code: 6xrs:
Jump to Iodine binding site number: 1; 2; 3; 4;

Iodine binding site 1 out of 4 in the Crystal Structure of A Gtp-Binding Protein Enga (Der Homolog) From Neisseria Gonorrhoeae Bound to Gdp


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 Gtp-Binding Protein Enga (Der Homolog) From Neisseria Gonorrhoeae Bound to Gdp within 5.0Å range: probe atom residue distance (Å) B Occ A:I602 b:83.2 occ:1.00 N A:ASP312 3.8 63.3 1.0 NE A:ARG347 3.9 84.1 1.0 CA A:ASP312 4.0 68.7 1.0 NH2 A:ARG319 4.0 56.5 1.0 CB A:SER342 4.0 62.0 1.0 C A:TRP311 4.1 59.1 1.0 CB A:TRP311 4.1 51.3 1.0 CD1 A:TRP311 4.2 54.2 1.0 O A:TRP311 4.4 63.5 1.0 CB A:ASP312 4.4 66.9 1.0 CD A:ARG347 4.6 84.0 1.0 CG A:TRP311 4.6 52.2 1.0 CB A:ARG347 4.6 71.2 1.0 N A:SER342 4.7 54.1 1.0 CA A:TRP311 4.7 54.5 1.0 NH2 A:ARG347 4.8 85.9 1.0 CZ A:ARG347 4.8 91.5 1.0 C A:ILE341 4.9 53.2 1.0 CA A:SER342 5.0 59.2 1.0

Iodine binding site 2 out of 4 in the Crystal Structure of A Gtp-Binding Protein Enga (Der Homolog) From Neisseria Gonorrhoeae Bound to Gdp


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 Gtp-Binding Protein Enga (Der Homolog) From Neisseria Gonorrhoeae Bound to Gdp within 5.0Å range: probe atom residue distance (Å) B Occ B:I603 b:91.5 occ:0.88 N B:ASP312 3.9 79.1 1.0 CA B:ASP312 3.9 80.4 1.0 NH2 B:ARG319 3.9 77.5 1.0 NE B:ARG347 3.9 0.6 1.0 CB B:SER342 4.2 69.0 1.0 C B:TRP311 4.2 74.7 1.0 CB B:ASP312 4.2 76.0 1.0 CD1 B:TRP311 4.3 69.9 1.0 CB B:TRP311 4.3 63.1 1.0 CD B:ARG347 4.5 0.3 1.0 CB B:ARG347 4.5 84.5 1.0 O B:TRP311 4.5 77.6 1.0 CG B:TRP311 4.8 63.1 1.0 N B:SER342 4.8 63.0 1.0 CA B:TRP311 4.9 65.1 1.0 CZ B:ARG347 4.9 1.0 1.0 NH2 B:ARG347 4.9 0.1 1.0 C B:ILE341 5.0 60.1 1.0

Iodine binding site 3 out of 4 in the Crystal Structure of A Gtp-Binding Protein Enga (Der Homolog) From Neisseria Gonorrhoeae Bound to Gdp


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 Gtp-Binding Protein Enga (Der Homolog) From Neisseria Gonorrhoeae Bound to Gdp within 5.0Å range: probe atom residue distance (Å) B Occ C:I603 b:82.4 occ:1.00 NE C:ARG347 3.7 77.9 1.0 N C:ASP312 3.9 53.2 1.0 CA C:ASP312 4.1 51.9 1.0 CD C:ARG347 4.2 74.1 1.0 CB C:SER342 4.2 47.4 1.0 C C:TRP311 4.2 56.4 1.0 NH2 C:ARG319 4.3 57.0 1.0 CD1 C:TRP311 4.3 51.0 1.0 CB C:ASP312 4.3 51.2 1.0 CB C:ARG347 4.3 50.1 1.0 CB C:TRP311 4.3 48.1 1.0 O C:TRP311 4.6 60.4 1.0 CG C:TRP311 4.7 49.5 1.0 CZ C:ARG347 4.8 83.2 1.0 N C:SER342 4.8 48.9 1.0 CG C:ARG347 4.8 60.8 1.0 CA C:TRP311 4.9 47.5 1.0 NH2 C:ARG347 5.0 79.8 1.0 C C:ILE341 5.0 50.4 1.0

Iodine binding site 4 out of 4 in the Crystal Structure of A Gtp-Binding Protein Enga (Der Homolog) From Neisseria Gonorrhoeae Bound to Gdp


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 Gtp-Binding Protein Enga (Der Homolog) From Neisseria Gonorrhoeae Bound to Gdp within 5.0Å range: probe atom residue distance (Å) B Occ D:I602 b:70.5 occ:0.81 NE D:ARG347 3.5 68.3 1.0 N D:ASP312 3.9 62.7 1.0 CA D:ASP312 4.0 63.4 1.0 CD D:ARG347 4.0 66.5 1.0 CD1 D:TRP311 4.0 53.0 1.0 C D:TRP311 4.1 62.4 1.0 CB D:SER342 4.1 53.3 1.0 CB D:TRP311 4.2 46.2 1.0 NH2 D:ARG319 4.2 56.6 1.0 O D:TRP311 4.3 65.2 1.0 CB D:ARG347 4.3 55.7 1.0 CB D:ASP312 4.4 58.4 1.0 CG D:TRP311 4.5 49.8 1.0 CZ D:ARG347 4.5 75.5 1.0 NH2 D:ARG347 4.7 70.6 1.0 CA D:TRP311 4.7 52.4 1.0 CG D:ARG347 4.7 64.7 1.0 N D:SER342 4.8 51.1 1.0 C D:ILE341 5.0 50.8 1.0

T.E.Edwards, J.Abendroth, D.D.Lorimer, P.S.Horanyi, Seattle Structural Genomics Center For Infectious Disease(Ssgcid). Crystal Structure of A Gtp-Binding Protein Enga (Der Homolog) From Neisseria Gonorrhoeae Bound to Gdp To Be Published.