Iodine in PDB 3ct9: Crystal Structure of A Putative Zinc Peptidase (NP_812461.1) From Bacteroides Thetaiotaomicron Vpi-5482 at 2.31 A Resolution

The structure of Crystal Structure of A Putative Zinc Peptidase (NP_812461.1) From Bacteroides Thetaiotaomicron Vpi-5482 at 2.31 A Resolution, PDB code: 3ct9 was solved by Joint Center For Structural Genomics (Jcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.51 / 2.31
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	51.340, 67.250, 107.890, 90.00, 94.28, 90.00
R / Rfree (%)	19.4 / 25.3

The structure of Crystal Structure of A Putative Zinc Peptidase (NP_812461.1) From Bacteroides Thetaiotaomicron Vpi-5482 at 2.31 A Resolution also contains other interesting chemical elements:

Chlorine

(Cl)

6 atoms

The binding sites of Iodine atom in the Crystal Structure of A Putative Zinc Peptidase (NP_812461.1) From Bacteroides Thetaiotaomicron Vpi-5482 at 2.31 A Resolution (pdb code 3ct9). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 8 binding sites of Iodine where determined in the Crystal Structure of A Putative Zinc Peptidase (NP_812461.1) From Bacteroides Thetaiotaomicron Vpi-5482 at 2.31 A Resolution, PDB code: 3ct9:
Jump to Iodine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Iodine binding site 1 out of 8 in the Crystal Structure of A Putative Zinc Peptidase (NP_812461.1) From Bacteroides Thetaiotaomicron Vpi-5482 at 2.31 A Resolution


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 Zinc Peptidase (NP_812461.1) From Bacteroides Thetaiotaomicron Vpi-5482 at 2.31 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:I356 b:31.0 occ:0.50 O A:HOH436 3.3 37.4 1.0 O A:HOH435 3.4 16.0 1.0 ND2 A:ASN279 3.8 30.9 1.0 CB A:PHE276 4.0 32.7 1.0 O A:PHE276 4.2 35.4 1.0 C A:PHE276 4.2 33.9 1.0 CA A:ARG277 4.2 32.5 1.0 C1 A:EDO363 4.3 25.0 1.0 N A:ARG277 4.3 32.6 1.0 OE2 A:GLU257 4.7 26.4 1.0 CG A:ASN279 4.8 30.9 1.0 OD1 A:ASN279 4.8 31.5 1.0 CA A:PHE276 4.8 33.6 1.0 CB A:ARG277 4.9 33.2 1.0 CD A:GLU257 4.9 28.0 1.0

Iodine binding site 2 out of 8 in the Crystal Structure of A Putative Zinc Peptidase (NP_812461.1) From Bacteroides Thetaiotaomicron Vpi-5482 at 2.31 A Resolution


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 Zinc Peptidase (NP_812461.1) From Bacteroides Thetaiotaomicron Vpi-5482 at 2.31 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:I357 b:31.2 occ:0.50 NH2 B:ARG274 3.6 34.7 1.0 N A:HIS235 3.6 34.1 1.0 NH1 B:ARG274 3.9 34.6 1.0 O A:THR233 4.0 41.9 1.0 CA A:GLN234 4.1 39.7 1.0 CB A:HIS235 4.1 31.0 1.0 CZ B:ARG274 4.2 34.8 1.0 C A:GLN234 4.2 37.0 1.0 CA A:HIS235 4.4 32.2 1.0 CD2 A:HIS235 4.4 30.5 1.0 CG1 B:VAL245 4.5 32.4 1.0 CG A:HIS235 4.6 30.0 1.0 CG2 B:VAL228 4.7 35.2 1.0 CG2 B:VAL245 4.7 31.9 1.0 C A:THR233 4.8 40.7 1.0 N A:GLN234 4.8 40.5 1.0

Iodine binding site 3 out of 8 in the Crystal Structure of A Putative Zinc Peptidase (NP_812461.1) From Bacteroides Thetaiotaomicron Vpi-5482 at 2.31 A Resolution


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 Zinc Peptidase (NP_812461.1) From Bacteroides Thetaiotaomicron Vpi-5482 at 2.31 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:I358 b:38.5 occ:0.50 O A:HOH437 3.1 28.7 1.0 OG A:SER303 3.1 33.9 1.0 CB A:SER303 3.7 34.8 1.0 CE2 A:PHE301 4.1 34.3 1.0 CZ A:PHE301 4.2 34.3 1.0 O A:PRO162 4.3 37.1 1.0 CE A:LYS318 4.4 35.3 1.0 OG1 A:THR305 4.4 34.9 1.0 OG A:SER324 4.4 36.0 1.0 CG2 A:THR163 4.5 35.2 1.0 CB A:SER324 4.5 35.9 1.0 NZ A:LYS318 4.5 34.2 1.0 CA A:SER303 4.6 34.6 1.0 CB A:THR305 4.7 34.6 1.0 O A:HOH396 4.7 27.5 1.0 O A:HOH450 4.9 43.4 1.0 CD A:PRO304 5.0 35.3 1.0

Iodine binding site 4 out of 8 in the Crystal Structure of A Putative Zinc Peptidase (NP_812461.1) From Bacteroides Thetaiotaomicron Vpi-5482 at 2.31 A Resolution


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 Zinc Peptidase (NP_812461.1) From Bacteroides Thetaiotaomicron Vpi-5482 at 2.31 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:I356 b:29.4 occ:0.50 OG B:SER324 3.3 41.1 1.0 OG B:SER303 3.4 34.3 1.0 CB B:SER303 4.0 34.3 1.0 NH2 A:ARG190 4.1 33.3 1.0 CE2 B:PHE301 4.2 35.2 1.0 CZ B:PHE301 4.3 34.5 1.0 O B:PRO162 4.3 38.5 1.0 CD B:PRO304 4.6 34.4 1.0 CE B:LYS318 4.6 34.9 1.0 CA B:SER303 4.6 35.1 1.0 NZ B:LYS318 4.6 34.2 1.0 CG2 B:THR163 4.7 34.6 1.0 CB B:SER324 4.7 39.5 1.0 OG1 B:THR305 4.7 33.9 1.0 CB B:THR305 4.7 34.7 1.0

Iodine binding site 5 out of 8 in the Crystal Structure of A Putative Zinc Peptidase (NP_812461.1) From Bacteroides Thetaiotaomicron Vpi-5482 at 2.31 A Resolution


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 Zinc Peptidase (NP_812461.1) From Bacteroides Thetaiotaomicron Vpi-5482 at 2.31 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:I357 b:32.8 occ:0.50 OG1 B:THR305 3.3 33.9 1.0 O B:HOH382 3.6 22.8 1.0 CD2 A:HIS187 3.9 41.5 1.0 NE A:ARG190 3.9 33.1 1.0 CG A:ARG190 4.2 35.0 1.0 CB A:HIS187 4.2 39.6 1.0 CB B:THR305 4.2 34.7 1.0 CG A:HIS187 4.2 41.1 1.0 CA B:THR305 4.3 34.7 1.0 CD A:ARG190 4.3 33.9 1.0 CB A:ALA189 4.3 34.3 1.0 CG2 B:THR305 4.4 33.2 1.0 O B:PRO304 4.6 34.7 1.0 N B:THR305 4.8 34.8 1.0 C B:PRO304 4.9 35.4 1.0 NE2 A:HIS187 4.9 41.5 1.0 CZ A:ARG190 4.9 34.0 1.0

Iodine binding site 6 out of 8 in the Crystal Structure of A Putative Zinc Peptidase (NP_812461.1) From Bacteroides Thetaiotaomicron Vpi-5482 at 2.31 A Resolution


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 Zinc Peptidase (NP_812461.1) From Bacteroides Thetaiotaomicron Vpi-5482 at 2.31 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:I358 b:42.7 occ:0.50 NH2 A:ARG249 3.7 44.8 1.0 ND2 B:ASN236 4.0 34.3 1.0 NH1 A:ARG249 4.1 44.4 1.0 CE1 B:HIS235 4.2 29.9 1.0 CB B:ASN236 4.3 34.9 1.0 CZ A:ARG249 4.3 44.8 1.0 CG B:ASN236 4.4 36.1 1.0 CD2 A:LEU174 4.4 27.2 1.0 NE2 B:HIS235 4.6 31.5 1.0 O A:HOH452 5.0 30.0 1.0

Iodine binding site 7 out of 8 in the Crystal Structure of A Putative Zinc Peptidase (NP_812461.1) From Bacteroides Thetaiotaomicron Vpi-5482 at 2.31 A Resolution


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 Zinc Peptidase (NP_812461.1) From Bacteroides Thetaiotaomicron Vpi-5482 at 2.31 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:I359 b:26.8 occ:0.70 N B:PHE276 3.5 34.9 1.0 OG B:SER275 3.7 29.4 0.5 N B:ARG277 4.0 36.2 1.0 CB B:PHE276 4.2 36.8 1.0 CA B:PHE276 4.3 36.4 1.0 CD2 B:PHE276 4.4 37.1 1.0 CA B:SER275 4.4 32.9 0.5 CB B:ARG277 4.4 37.2 1.0 CA B:SER275 4.4 32.0 0.5 CB B:SER275 4.4 33.6 0.5 C B:SER275 4.5 33.0 1.0 C B:PHE276 4.5 36.7 1.0 CB B:SER275 4.6 31.6 0.5 CA B:ARG277 4.8 36.9 1.0 CG B:PHE276 4.8 36.8 1.0 CG B:ARG277 4.9 38.5 1.0 CD B:ARG277 4.9 39.3 1.0

Iodine binding site 8 out of 8 in the Crystal Structure of A Putative Zinc Peptidase (NP_812461.1) From Bacteroides Thetaiotaomicron Vpi-5482 at 2.31 A Resolution


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 Zinc Peptidase (NP_812461.1) From Bacteroides Thetaiotaomicron Vpi-5482 at 2.31 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:I360 b:31.0 occ:0.50 OG B:SER275 2.9 33.8 0.5 N B:VAL176 3.7 35.5 1.0 CB B:SER275 4.0 31.6 0.5 O B:HOH392 4.0 29.4 1.0 N B:SER275 4.1 32.5 1.0 CB B:SER275 4.2 33.6 0.5 CG2 B:VAL176 4.2 32.3 1.0 CA B:MSE175 4.2 35.2 1.0 O B:SER275 4.2 32.1 1.0 CB B:VAL176 4.3 33.9 1.0 CB B:ARG274 4.3 32.4 1.0 C B:MSE175 4.4 35.4 1.0 O B:LEU174 4.5 31.7 1.0 CA B:SER275 4.5 32.0 0.5 CA B:SER275 4.5 32.9 0.5 CD1 B:LEU278 4.6 34.7 1.0 CA B:VAL176 4.6 34.6 1.0 C B:ARG274 4.6 32.1 1.0 C B:SER275 4.7 33.0 1.0 CG B:LEU174 4.7 27.8 1.0 N B:MSE175 4.7 33.7 1.0 C B:LEU174 4.8 31.4 1.0 O B:VAL176 4.9 33.9 1.0 O B:HOH457 4.9 30.3 1.0 CA B:ARG274 4.9 31.7 1.0 CD2 B:LEU174 5.0 28.3 1.0

Joint Center For Structural Genomics (Jcsg), Joint Center For Structural Genomics (Jcsg). N/A N/A.