Iodine in PDB 4hw6: Crystal Structure of An Auxiliary Nutrient Binding Protein (BACOVA_00264) From Bacteroides Ovatus Atcc 8483 at 1.70 A Resolution

The structure of Crystal Structure of An Auxiliary Nutrient Binding Protein (BACOVA_00264) From Bacteroides Ovatus Atcc 8483 at 1.70 A Resolution, PDB code: 4hw6 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)	29.89 / 1.70
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	104.294, 81.554, 128.532, 90.00, 108.60, 90.00
R / Rfree (%)	14.9 / 17.9

The structure of Crystal Structure of An Auxiliary Nutrient Binding Protein (BACOVA_00264) From Bacteroides Ovatus Atcc 8483 at 1.70 A Resolution also contains other interesting chemical elements:

Chlorine

(Cl)

10 atoms

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 12;

Binding sites:

The binding sites of Iodine atom in the Crystal Structure of An Auxiliary Nutrient Binding Protein (BACOVA_00264) From Bacteroides Ovatus Atcc 8483 at 1.70 A Resolution (pdb code 4hw6). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 12 binding sites of Iodine where determined in the Crystal Structure of An Auxiliary Nutrient Binding Protein (BACOVA_00264) From Bacteroides Ovatus Atcc 8483 at 1.70 A Resolution, PDB code: 4hw6:
Jump to Iodine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iodine binding site 1 out of 12 in the Crystal Structure of An Auxiliary Nutrient Binding Protein (BACOVA_00264) From Bacteroides Ovatus Atcc 8483 at 1.70 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 An Auxiliary Nutrient Binding Protein (BACOVA_00264) From Bacteroides Ovatus Atcc 8483 at 1.70 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:I501 b:47.9 occ:0.40 NE2 A:GLN204 3.7 24.0 0.5 CD2 A:PHE201 3.8 21.8 1.0 O A:HOH994 4.1 24.3 1.0 CE2 A:PHE201 4.1 21.0 1.0 CE2 A:PHE164 4.2 21.9 1.0 NE A:ARG445 4.3 20.2 1.0 O A:HOH885 4.3 57.5 1.0 OE1 A:GLN204 4.3 23.1 0.5 O A:HOH963 4.3 44.5 1.0 CE1 A:PHE146 4.4 32.1 1.0 CD A:GLN204 4.5 23.2 0.5 CD A:ARG445 4.5 19.9 1.0 CZ A:PHE146 4.6 23.8 1.0 NE2 A:GLN204 4.9 30.4 0.5 CD2 A:PHE164 4.9 22.6 1.0 CG A:PHE201 5.0 20.8 1.0

Iodine binding site 2 out of 12 in the Crystal Structure of An Auxiliary Nutrient Binding Protein (BACOVA_00264) From Bacteroides Ovatus Atcc 8483 at 1.70 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 An Auxiliary Nutrient Binding Protein (BACOVA_00264) From Bacteroides Ovatus Atcc 8483 at 1.70 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:I501 b:22.2 occ:0.60 NE B:ARG260 3.5 25.9 1.0 O B:HOH779 3.6 26.0 1.0 O B:HOH786 3.7 37.9 1.0 NE2 B:HIS280 3.7 20.0 1.0 CG B:ARG260 3.8 21.1 1.0 CD2 B:HIS280 3.9 19.9 1.0 CA B:GLY261 4.0 15.4 1.0 CA B:SER234 4.1 22.3 1.0 N B:GLY261 4.1 16.2 1.0 CD B:ARG260 4.3 23.1 1.0 CB B:SER234 4.3 24.6 1.0 NH2 B:ARG260 4.4 29.9 1.0 O B:GLN233 4.4 17.4 1.0 CZ B:ARG260 4.4 30.3 1.0 CB B:TYR279 4.7 16.4 1.0 O B:HOH801 4.7 37.2 1.0 C B:GLN233 4.8 19.1 1.0 C B:ARG260 4.8 17.8 1.0 N B:SER234 4.8 20.3 1.0 C B:SER234 4.9 22.6 1.0 CE1 B:HIS280 5.0 18.7 1.0 CG B:TYR279 5.0 16.5 1.0

Iodine binding site 3 out of 12 in the Crystal Structure of An Auxiliary Nutrient Binding Protein (BACOVA_00264) From Bacteroides Ovatus Atcc 8483 at 1.70 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 An Auxiliary Nutrient Binding Protein (BACOVA_00264) From Bacteroides Ovatus Atcc 8483 at 1.70 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:I502 b:21.7 occ:0.60 O B:HOH753 3.1 31.8 1.0 O B:HOH694 3.4 20.4 1.0 NH1 B:ARG193 3.6 19.3 1.0 CD B:ARG193 3.8 17.7 1.0 CG B:ARG193 4.2 15.3 1.0 CZ B:ARG193 4.3 20.5 1.0 NE B:ARG193 4.3 21.1 1.0 CB B:ARG193 4.6 14.6 1.0 O B:GLY214 4.9 19.8 1.0 O B:HOH812 4.9 34.4 1.0

Iodine binding site 4 out of 12 in the Crystal Structure of An Auxiliary Nutrient Binding Protein (BACOVA_00264) From Bacteroides Ovatus Atcc 8483 at 1.70 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 An Auxiliary Nutrient Binding Protein (BACOVA_00264) From Bacteroides Ovatus Atcc 8483 at 1.70 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:I503 b:23.3 occ:0.50 O B:HOH873 3.3 38.0 1.0 O A:HOH643 3.6 26.2 1.0 N A:GLU152 3.7 25.8 1.0 N B:TYR422 3.8 13.5 1.0 CA B:GLY421 4.0 14.0 1.0 NE B:ARG418 4.0 19.9 0.5 N A:ASN153 4.1 25.8 1.0 O B:HOH852 4.1 34.7 1.0 CG2 B:VAL423 4.1 16.8 1.0 O B:HOH730 4.2 25.2 1.0 CD1 B:LEU432 4.3 14.2 1.0 CD B:ARG418 4.4 20.9 0.5 CA A:TYR151 4.4 22.9 1.0 O B:TYR422 4.4 14.4 1.0 CA A:GLU152 4.4 26.8 1.0 O B:HOH1103 4.5 24.1 1.0 C B:GLY421 4.5 12.6 1.0 C A:TYR151 4.5 23.4 1.0 CZ B:ARG418 4.5 22.3 0.5 CB A:TYR151 4.7 26.5 1.0 C B:TYR422 4.7 13.7 1.0 NH2 B:ARG418 4.8 22.6 0.5 C A:GLU152 4.8 25.0 1.0 CA B:TYR422 4.8 13.6 1.0 CA A:ASN153 4.9 26.6 1.0 CD B:ARG418 4.9 30.6 0.5 O B:TRP420 4.9 15.1 1.0

Iodine binding site 5 out of 12 in the Crystal Structure of An Auxiliary Nutrient Binding Protein (BACOVA_00264) From Bacteroides Ovatus Atcc 8483 at 1.70 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 An Auxiliary Nutrient Binding Protein (BACOVA_00264) From Bacteroides Ovatus Atcc 8483 at 1.70 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:I504 b:17.5 occ:0.30 O B:HOH1102 3.0 25.6 1.0 O B:HOH640 3.2 16.4 1.0 NH1 B:ARG197 3.3 13.8 1.0 N B:ASP171 3.4 14.6 1.0 CA B:PHE170 3.7 13.0 1.0 CB B:ALA195 3.9 15.0 1.0 CD B:ARG197 3.9 13.3 1.0 CG1 B:VAL159 4.0 15.4 1.0 C B:PHE170 4.1 16.0 1.0 CD1 B:PHE170 4.1 14.6 1.0 O B:ALA169 4.1 11.7 1.0 CG B:ARG197 4.2 13.6 1.0 CB B:PHE170 4.2 14.0 1.0 CB B:ASP171 4.3 18.4 1.0 CZ B:ARG197 4.4 13.2 1.0 CA B:ASP171 4.4 16.4 1.0 CG2 B:VAL159 4.5 16.7 1.0 O B:HOH618 4.5 13.2 1.0 NE B:ARG197 4.6 12.0 1.0 CG B:ASP171 4.6 21.5 1.0 OD2 B:ASP171 4.7 21.7 1.0 N B:ALA195 4.7 15.2 1.0 CG B:PHE170 4.7 13.9 1.0 CA B:ALA195 4.7 14.2 1.0 O B:ALA195 4.8 16.3 1.0 N B:PHE170 4.8 12.0 1.0 CB B:VAL159 4.8 16.5 1.0 C B:ALA169 4.9 13.0 1.0 N B:ASN172 5.0 16.1 1.0

Iodine binding site 6 out of 12 in the Crystal Structure of An Auxiliary Nutrient Binding Protein (BACOVA_00264) From Bacteroides Ovatus Atcc 8483 at 1.70 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 An Auxiliary Nutrient Binding Protein (BACOVA_00264) From Bacteroides Ovatus Atcc 8483 at 1.70 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:I505 b:27.1 occ:0.30 O B:HOH787 2.9 23.9 1.0 N B:TRP312 3.4 13.3 1.0 ND2 B:ASN220 3.6 18.2 1.0 O B:HOH990 3.7 33.2 1.0 CD1 B:TRP312 3.8 14.5 1.0 CA B:ALA266 3.9 13.2 1.0 CB B:ALA266 3.9 13.7 1.0 N B:VAL267 4.0 15.9 1.0 CA B:VAL311 4.0 12.7 1.0 CB B:TRP312 4.0 13.9 1.0 O B:VAL267 4.1 14.8 1.0 C B:VAL311 4.2 12.6 1.0 CA B:TRP312 4.2 12.4 1.0 C B:ALA266 4.2 15.8 1.0 CG B:TRP312 4.3 14.0 1.0 O B:ILE310 4.3 12.3 1.0 O B:HOH1013 4.4 44.1 1.0 CG1 B:VAL311 4.4 12.1 1.0 O B:TRP312 4.7 13.9 1.0 CG B:ASN220 4.8 17.4 1.0 C B:VAL267 4.8 14.7 1.0 O B:HOH734 4.8 31.7 1.0 CB B:VAL311 4.8 13.9 1.0 N B:VAL311 4.9 12.7 1.0 CA B:VAL267 5.0 13.8 1.0 C B:ILE310 5.0 13.1 1.0 NE1 B:TRP312 5.0 15.8 1.0

Iodine binding site 7 out of 12 in the Crystal Structure of An Auxiliary Nutrient Binding Protein (BACOVA_00264) From Bacteroides Ovatus Atcc 8483 at 1.70 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 An Auxiliary Nutrient Binding Protein (BACOVA_00264) From Bacteroides Ovatus Atcc 8483 at 1.70 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ C:I501 b:20.5 occ:0.60 O C:HOH649 3.5 24.7 1.0 NE C:ARG260 3.6 22.6 1.0 NE2 C:HIS280 3.7 19.3 1.0 CD2 C:HIS280 3.9 18.0 1.0 CG C:ARG260 3.9 21.2 1.0 CA C:GLY261 4.0 16.1 1.0 CA C:SER234 4.1 20.4 1.0 N C:GLY261 4.1 15.2 1.0 CB C:SER234 4.3 23.0 1.0 O C:GLN233 4.3 19.1 1.0 NH2 C:ARG260 4.3 23.5 1.0 CD C:ARG260 4.4 20.0 1.0 CZ C:ARG260 4.4 24.3 1.0 O C:HOH784 4.6 33.8 1.0 CB C:TYR279 4.7 15.3 1.0 C C:GLN233 4.8 19.6 1.0 N C:SER234 4.8 19.9 1.0 C C:ARG260 4.9 15.9 1.0 CE1 C:HIS280 4.9 18.5 1.0 C C:SER234 4.9 21.4 1.0 CG C:TYR279 5.0 15.2 1.0 CD1 C:TYR279 5.0 15.7 1.0

Iodine binding site 8 out of 12 in the Crystal Structure of An Auxiliary Nutrient Binding Protein (BACOVA_00264) From Bacteroides Ovatus Atcc 8483 at 1.70 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 An Auxiliary Nutrient Binding Protein (BACOVA_00264) From Bacteroides Ovatus Atcc 8483 at 1.70 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ C:I502 b:29.1 occ:0.40 N C:GLU152 3.4 25.3 1.0 N D:TYR422 3.5 19.1 1.0 O C:HOH997 3.6 22.8 1.0 O C:HOH939 3.7 39.2 1.0 N C:ASN153 3.7 22.6 1.0 O D:HOH972 3.7 57.8 1.0 O C:HOH686 3.8 25.5 1.0 CA D:GLY421 3.8 18.4 1.0 CA C:GLU152 4.0 26.9 1.0 O D:HOH940 4.1 30.9 1.0 CG2 D:VAL423 4.1 22.9 1.0 CA C:TYR151 4.2 23.6 1.0 C C:TYR151 4.2 23.0 1.0 O D:TYR422 4.2 20.0 1.0 C D:GLY421 4.2 18.0 1.0 CD1 D:LEU432 4.4 22.7 1.0 C C:GLU152 4.4 24.5 1.0 C D:TYR422 4.5 20.5 1.0 CB C:TYR151 4.5 25.6 1.0 CA D:TYR422 4.5 19.4 1.0 NE D:ARG418 4.7 50.7 1.0 CA C:ASN153 4.7 21.8 1.0 O D:TRP420 4.9 20.5 1.0

Iodine binding site 9 out of 12 in the Crystal Structure of An Auxiliary Nutrient Binding Protein (BACOVA_00264) From Bacteroides Ovatus Atcc 8483 at 1.70 A Resolution


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 Auxiliary Nutrient Binding Protein (BACOVA_00264) From Bacteroides Ovatus Atcc 8483 at 1.70 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ C:I503 b:28.1 occ:0.40 O D:HOH602 3.4 23.2 1.0 N C:TYR422 3.4 19.0 1.0 N D:GLU152 3.4 24.8 1.0 CA C:GLY421 3.6 19.6 1.0 N D:ASN153 3.7 23.8 1.0 O D:HOH994 3.7 46.5 1.0 O D:HOH857 3.8 24.6 1.0 CA D:TYR151 4.0 24.9 1.0 C D:TYR151 4.1 24.8 1.0 C C:GLY421 4.1 19.0 1.0 O C:HOH909 4.1 29.3 1.0 CA D:GLU152 4.2 26.6 1.0 CG2 C:VAL423 4.2 23.4 1.0 O C:TYR422 4.2 20.2 1.0 C C:TYR422 4.4 20.3 1.0 CB D:TYR151 4.4 28.2 1.0 CA C:TYR422 4.4 19.2 1.0 CD1 C:LEU432 4.5 21.1 1.0 C D:GLU152 4.5 25.0 1.0 CA D:ASN153 4.5 23.3 1.0 O D:HOH724 4.8 22.9 1.0 NE C:ARG418 4.9 51.1 1.0 O C:TRP420 4.9 19.7 1.0 O D:LEU150 4.9 25.8 1.0 N C:GLY421 4.9 19.9 1.0 CB C:TYR422 5.0 19.3 1.0

Iodine binding site 10 out of 12 in the Crystal Structure of An Auxiliary Nutrient Binding Protein (BACOVA_00264) From Bacteroides Ovatus Atcc 8483 at 1.70 A Resolution


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 Auxiliary Nutrient Binding Protein (BACOVA_00264) From Bacteroides Ovatus Atcc 8483 at 1.70 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ C:I504 b:20.0 occ:0.30 O C:HOH673 3.0 33.6 1.0 O C:HOH635 3.2 19.2 1.0 NH1 C:ARG197 3.2 18.8 1.0 N C:ASP171 3.3 18.7 1.0 CA C:PHE170 3.7 16.7 1.0 CG1 C:VAL159 3.8 20.8 1.0 CD C:ARG197 3.9 17.2 1.0 CB C:ALA195 3.9 20.0 1.0 C C:PHE170 4.0 17.6 1.0 CB C:PHE170 4.2 17.1 1.0 CB C:ASP171 4.2 18.2 1.0 O C:ALA169 4.2 18.7 1.0 CD1 C:PHE170 4.2 18.9 1.0 CG C:ARG197 4.2 17.4 1.0 CZ C:ARG197 4.3 19.0 1.0 CA C:ASP171 4.3 18.8 1.0 CG2 C:VAL159 4.5 22.3 1.0 CG C:ASP171 4.5 19.4 1.0 NE C:ARG197 4.5 17.0 1.0 O C:HOH613 4.6 16.9 1.0 O C:ALA195 4.6 17.2 1.0 OD2 C:ASP171 4.6 16.9 1.0 N C:ALA195 4.7 17.6 1.0 CG C:PHE170 4.7 17.4 1.0 CA C:ALA195 4.7 17.9 1.0 CB C:VAL159 4.8 21.1 1.0 N C:PHE170 4.8 16.8 1.0 N C:ASN172 4.9 17.7 1.0 C C:ALA169 4.9 17.7 1.0

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