Iodine in PDB 4q53: Crystal Structure of A Hypothetical Protein (BACUNI_04292) From Bacteroides Uniformis Atcc 8492 at 1.27 A Resolution

The structure of Crystal Structure of A Hypothetical Protein (BACUNI_04292) From Bacteroides Uniformis Atcc 8492 at 1.27 A Resolution, PDB code: 4q53 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)	28.00 / 1.27
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	108.136, 37.109, 61.376, 90.00, 121.66, 90.00
R / Rfree (%)	15.4 / 17.6

The structure of Crystal Structure of A Hypothetical Protein (BACUNI_04292) From Bacteroides Uniformis Atcc 8492 at 1.27 A Resolution also contains other interesting chemical elements:

Chlorine	(Cl)	9 atoms
Sodium	(Na)	1 atom

Pages:

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

Binding sites:

The binding sites of Iodine atom in the Crystal Structure of A Hypothetical Protein (BACUNI_04292) From Bacteroides Uniformis Atcc 8492 at 1.27 A Resolution (pdb code 4q53). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 11 binding sites of Iodine where determined in the Crystal Structure of A Hypothetical Protein (BACUNI_04292) From Bacteroides Uniformis Atcc 8492 at 1.27 A Resolution, PDB code: 4q53:
Jump to Iodine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iodine binding site 1 out of 11 in the Crystal Structure of A Hypothetical Protein (BACUNI_04292) From Bacteroides Uniformis Atcc 8492 at 1.27 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 Hypothetical Protein (BACUNI_04292) From Bacteroides Uniformis Atcc 8492 at 1.27 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:I201 b:20.9 occ:0.60 NH1 A:ARG106 3.2 11.3 0.3 NE A:ARG106 3.4 22.5 0.3 NH2 A:ARG106 3.4 25.4 0.3 ND2 A:ASN83 3.5 21.2 1.0 CG1 A:ILE97 3.6 21.6 1.0 CD1 A:ILE97 3.8 26.4 1.0 CZ A:ARG106 3.8 23.9 0.3 C A:GLY96 4.0 12.0 1.0 CA A:GLY96 4.0 12.7 1.0 CZ A:ARG106 4.0 18.7 0.3 CG2 A:ILE95 4.1 15.4 1.0 CB A:ASN83 4.1 15.4 1.0 O A:GLY96 4.3 12.9 1.0 N A:GLY96 4.3 11.6 1.0 CG A:ASN83 4.3 18.5 1.0 N A:ILE97 4.4 12.2 1.0 CD A:ARG106 4.4 21.4 0.3 CG A:ARG106 4.5 19.4 0.3 CD A:ARG106 4.5 21.8 0.3 NE A:ARG106 4.5 21.7 0.3 C A:ILE95 4.6 11.6 1.0 O A:ILE95 4.6 12.0 1.0 NH2 A:ARG106 4.8 22.4 0.3 CB A:ILE97 4.9 15.5 1.0

Iodine binding site 2 out of 11 in the Crystal Structure of A Hypothetical Protein (BACUNI_04292) From Bacteroides Uniformis Atcc 8492 at 1.27 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 Hypothetical Protein (BACUNI_04292) From Bacteroides Uniformis Atcc 8492 at 1.27 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:I202 b:22.4 occ:0.35 I A:IOD202 0.0 22.4 0.3 I A:IOD202 1.1 22.4 0.3 O A:HOH365 3.5 39.9 1.0 CG1 A:VAL24 3.6 31.7 1.0 I A:IOD205 3.6 10.9 0.2 CG A:TYR118 3.9 19.1 1.0 CG A:PHE111 3.9 15.0 1.0 CB A:TYR118 4.0 19.3 1.0 CD1 A:TYR118 4.0 20.7 1.0 CD1 A:PHE111 4.0 16.7 1.0 CB A:PHE111 4.2 15.1 1.0 CB A:LYS87 4.2 19.3 0.5 CD2 A:PHE111 4.2 16.6 1.0 CB A:LYS87 4.3 19.5 0.5 CD A:LYS87 4.3 24.6 0.5 CA A:GLY92 4.3 14.3 1.0 CD2 A:TYR118 4.4 23.1 1.0 CE1 A:PHE111 4.5 16.7 1.0 CD A:LYS87 4.5 24.2 0.5 CE1 A:TYR118 4.6 22.0 1.0 CE2 A:PHE111 4.6 17.6 1.0 CB A:PRO25 4.7 24.5 1.0 C A:GLY92 4.8 12.3 1.0 CB A:VAL24 4.8 29.8 1.0 CZ A:PHE111 4.8 18.4 1.0 CD A:PRO25 4.8 27.3 1.0 CG A:LYS87 4.8 21.2 0.5 N A:PRO25 4.8 26.1 1.0 C A:VAL24 4.9 27.7 1.0 CG A:LYS87 4.9 20.9 0.5 O A:GLY86 4.9 14.8 1.0 O A:VAL24 4.9 29.9 1.0 N A:PHE93 4.9 11.9 1.0 CE2 A:TYR118 4.9 24.8 1.0 CG A:PRO25 5.0 25.2 1.0 N A:GLY92 5.0 14.5 1.0

Iodine binding site 3 out of 11 in the Crystal Structure of A Hypothetical Protein (BACUNI_04292) From Bacteroides Uniformis Atcc 8492 at 1.27 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 Hypothetical Protein (BACUNI_04292) From Bacteroides Uniformis Atcc 8492 at 1.27 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:I202 b:22.4 occ:0.35 I A:IOD202 0.0 22.4 0.3 I A:IOD202 1.1 22.4 0.3 I A:IOD205 2.9 10.9 0.2 CD1 A:PHE111 3.7 16.7 1.0 CG A:PHE111 4.0 15.0 1.0 CE1 A:PHE111 4.0 16.7 1.0 CA A:GLY92 4.1 14.3 1.0 CG1 A:VAL24 4.1 31.7 1.0 N A:PHE93 4.1 11.9 1.0 O A:HOH365 4.2 39.9 1.0 O A:GLY86 4.2 14.8 1.0 CB A:PRO25 4.2 24.5 1.0 CB A:LYS87 4.3 19.3 0.5 C A:GLY92 4.3 12.3 1.0 CB A:LYS87 4.3 19.5 0.5 CG A:PRO25 4.4 25.2 1.0 CB A:PHE111 4.5 15.1 1.0 CD2 A:PHE111 4.5 16.6 1.0 CD A:PRO25 4.5 27.3 1.0 CZ A:PHE111 4.5 18.4 1.0 O A:PHE93 4.6 12.0 1.0 CD A:LYS87 4.7 24.6 0.5 CE2 A:PHE111 4.7 17.6 1.0 CG2 A:VAL94 4.7 15.4 1.0 N A:PRO25 4.7 26.1 1.0 CD A:LYS87 4.8 24.2 0.5 C A:PHE93 4.9 10.9 1.0 CG A:LYS87 4.9 21.2 0.5 CG A:LYS87 4.9 20.9 0.5 C A:GLY86 4.9 13.4 1.0 CD1 A:TYR118 5.0 20.7 1.0 CG A:TYR118 5.0 19.1 1.0 CA A:PRO25 5.0 23.6 1.0 CA A:PHE93 5.0 12.0 1.0

Iodine binding site 4 out of 11 in the Crystal Structure of A Hypothetical Protein (BACUNI_04292) From Bacteroides Uniformis Atcc 8492 at 1.27 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 Hypothetical Protein (BACUNI_04292) From Bacteroides Uniformis Atcc 8492 at 1.27 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:I203 b:19.0 occ:0.80 I A:IOD205 3.0 10.9 0.2 NZ A:LYS87 3.4 27.7 0.5 NE2 A:GLN85 3.5 14.9 0.5 CA A:GLY86 3.9 13.0 1.0 CG A:GLN85 4.0 13.3 0.5 CG A:GLN85 4.2 15.9 0.5 N A:GLY86 4.2 10.7 1.0 OE1 A:GLN85 4.2 20.7 0.5 CD A:GLN85 4.2 14.1 0.5 O A:GLN85 4.3 11.4 1.0 C A:GLN85 4.3 10.5 1.0 CG A:LYS87 4.4 20.9 0.5 C A:GLY86 4.4 13.4 1.0 CD A:GLN85 4.5 17.8 0.5 CE A:LYS87 4.5 27.0 0.5 N A:LYS87 4.6 14.6 1.0 CG A:LYS87 4.6 21.2 0.5 CB A:GLN85 4.7 11.5 0.5 CB A:GLN85 4.7 13.2 0.5 CE A:LYS87 4.8 26.8 0.5 CD A:LYS87 4.9 24.2 0.5

Iodine binding site 5 out of 11 in the Crystal Structure of A Hypothetical Protein (BACUNI_04292) From Bacteroides Uniformis Atcc 8492 at 1.27 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 Hypothetical Protein (BACUNI_04292) From Bacteroides Uniformis Atcc 8492 at 1.27 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:I204 b:15.4 occ:0.70 O A:VAL82 3.8 13.8 1.0 C A:ASN83 3.8 10.8 1.0 NE2 A:GLN85 3.8 18.7 0.5 N A:HIS84 4.0 10.9 1.0 CA A:ASN83 4.0 11.0 1.0 CG1 A:VAL82 4.0 14.2 1.0 O A:ASN83 4.0 11.1 1.0 C A:VAL82 4.1 12.3 1.0 O A:HOH353 4.2 29.6 1.0 N A:ASN83 4.3 11.2 1.0 CA A:HIS84 4.4 10.4 1.0 CG A:GLN85 4.5 15.9 0.5 CB A:VAL82 4.6 13.9 1.0 CG A:GLN85 4.7 13.3 0.5 CD A:GLN85 4.7 17.8 0.5 OE1 A:GLN85 4.8 15.7 0.5 C A:HIS84 4.8 10.0 1.0 N A:GLN85 4.8 10.5 1.0 CD A:GLN85 4.9 14.1 0.5

Iodine binding site 6 out of 11 in the Crystal Structure of A Hypothetical Protein (BACUNI_04292) From Bacteroides Uniformis Atcc 8492 at 1.27 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 Hypothetical Protein (BACUNI_04292) From Bacteroides Uniformis Atcc 8492 at 1.27 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:I205 b:10.9 occ:0.20 I A:IOD202 2.9 22.4 0.3 I A:IOD203 3.0 19.0 0.8 I A:IOD202 3.6 22.4 0.3 O A:GLY86 3.6 14.8 1.0 NZ A:LYS87 3.6 27.7 0.5 C A:GLY86 3.7 13.4 1.0 CG A:LYS87 3.8 20.9 0.5 CG A:PRO25 3.8 25.2 1.0 N A:GLY86 3.9 10.7 1.0 CD A:PRO25 3.9 27.3 1.0 CG A:LYS87 3.9 21.2 0.5 CB A:LYS87 3.9 19.5 0.5 CB A:LYS87 4.0 19.3 0.5 CA A:GLY86 4.0 13.0 1.0 CD A:LYS87 4.0 24.2 0.5 CD A:LYS87 4.1 24.6 0.5 N A:LYS87 4.2 14.6 1.0 OE1 A:GLN85 4.2 20.7 0.5 O A:PHE93 4.4 12.0 1.0 NE2 A:GLN85 4.4 14.9 0.5 CE A:LYS87 4.5 27.0 0.5 CE A:LYS87 4.5 26.8 0.5 CB A:GLN85 4.5 13.2 0.5 CB A:GLN85 4.5 11.5 0.5 O A:HOH365 4.5 39.9 1.0 CB A:PRO25 4.6 24.5 1.0 C A:GLN85 4.6 10.5 1.0 CA A:LYS87 4.6 17.4 0.5 CA A:LYS87 4.7 17.3 0.5 CG A:GLN85 4.7 13.3 0.5 CD A:GLN85 4.8 14.1 0.5 CG A:GLN85 4.8 15.9 0.5 N A:PRO25 5.0 26.1 1.0 CD A:GLN85 5.0 17.8 0.5

Iodine binding site 7 out of 11 in the Crystal Structure of A Hypothetical Protein (BACUNI_04292) From Bacteroides Uniformis Atcc 8492 at 1.27 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 Hypothetical Protein (BACUNI_04292) From Bacteroides Uniformis Atcc 8492 at 1.27 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:I201 b:14.5 occ:0.90 I B:IOD204 3.0 14.8 0.5 CD1 B:PHE93 3.8 12.1 1.0 CE1 B:PHE93 4.0 14.6 1.0 N B:ARG88 4.0 12.3 1.0 CB B:SER91 4.1 13.2 1.0 O B:SER91 4.1 11.5 1.0 C B:SER91 4.2 10.9 1.0 CB B:ARG88 4.2 17.6 1.0 CA B:GLY92 4.2 11.4 1.0 N B:GLY92 4.2 10.7 1.0 CA B:LYS87 4.4 12.2 0.5 CA B:LYS87 4.4 11.2 0.5 C B:LYS87 4.4 11.5 1.0 O B:ARG88 4.5 13.2 1.0 O B:GLY86 4.6 11.6 1.0 CA B:ARG88 4.7 13.8 1.0 C9 B:7PG205 4.7 23.3 1.0 C B:GLY92 4.7 10.6 1.0 CA B:SER91 4.8 11.8 1.0 N B:LYS87 4.8 10.5 1.0 C10 B:7PG205 4.8 26.8 1.0 C B:GLY86 4.9 10.4 1.0 O4 B:7PG205 4.9 20.0 1.0 C8 B:7PG205 4.9 21.7 1.0

Iodine binding site 8 out of 11 in the Crystal Structure of A Hypothetical Protein (BACUNI_04292) From Bacteroides Uniformis Atcc 8492 at 1.27 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 Hypothetical Protein (BACUNI_04292) From Bacteroides Uniformis Atcc 8492 at 1.27 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:I202 b:16.2 occ:0.30 I B:IOD202 0.0 16.2 0.3 I B:IOD202 3.1 21.4 0.7 O B:HOH327 3.7 29.2 1.0 CD1 B:PHE111 3.9 14.2 1.0 CG B:PHE111 4.1 12.0 1.0 CA B:GLY92 4.2 11.4 1.0 N B:PHE93 4.3 10.9 1.0 CE1 B:PHE111 4.3 13.5 1.0 CB B:PRO25 4.4 21.3 0.5 CG B:PRO25 4.4 21.6 0.5 CD2 B:TYR118 4.4 15.7 1.0 CB B:PHE111 4.4 11.6 1.0 CG1 B:VAL24 4.4 21.3 0.5 CD B:PRO25 4.4 18.0 0.5 C B:GLY92 4.5 10.6 1.0 O B:GLY86 4.5 11.6 1.0 CD B:PRO25 4.5 20.8 0.5 CB B:PRO25 4.5 17.8 0.5 CG B:TYR118 4.6 15.4 1.0 CD B:LYS87 4.6 20.1 0.5 CD2 B:PHE111 4.6 12.7 1.0 CG B:PRO25 4.6 16.9 0.5 CB B:LYS87 4.7 15.5 0.5 O B:PHE93 4.7 10.8 1.0 CE2 B:TYR118 4.8 15.6 1.0 CB B:LYS87 4.8 12.4 0.5 CZ B:PHE111 4.8 13.7 1.0 N B:PRO25 4.8 15.9 0.5 CB B:TYR118 4.9 15.2 1.0 CE2 B:PHE111 4.9 13.5 1.0 CG2 B:VAL94 5.0 16.2 1.0

Iodine binding site 9 out of 11 in the Crystal Structure of A Hypothetical Protein (BACUNI_04292) From Bacteroides Uniformis Atcc 8492 at 1.27 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 A Hypothetical Protein (BACUNI_04292) From Bacteroides Uniformis Atcc 8492 at 1.27 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:I202 b:21.4 occ:0.70 I B:IOD202 0.0 21.4 0.7 I B:IOD202 3.1 16.2 0.3 O B:GLY86 3.7 11.6 1.0 C B:GLY86 3.8 10.4 1.0 CD B:LYS87 3.8 20.1 0.5 NZ B:LYS87 3.9 25.1 0.5 CE B:LYS87 3.9 19.5 0.5 N B:GLY86 4.0 11.4 1.0 CG B:LYS87 4.0 16.8 0.5 CA B:GLY86 4.1 10.6 1.0 NE2 B:GLN85 4.2 18.0 0.5 CD B:LYS87 4.2 17.7 0.5 CG B:LYS87 4.2 15.0 0.5 CB B:LYS87 4.2 15.5 0.5 CB B:LYS87 4.2 12.4 0.5 CD B:PRO25 4.2 18.0 0.5 O B:HOH327 4.3 29.2 1.0 O B:PHE93 4.3 10.8 1.0 CG B:PRO25 4.3 16.9 0.5 N B:LYS87 4.4 10.5 1.0 OE1 B:GLN85 4.4 22.3 0.5 CE B:LYS87 4.5 22.3 0.5 CB B:GLN85 4.5 17.5 0.5 CB B:GLN85 4.5 15.4 0.5 CG B:PRO25 4.5 21.6 0.5 NZ B:LYS87 4.6 22.9 0.5 CB B:PRO25 4.6 21.3 0.5 C B:GLN85 4.7 10.8 1.0 CG B:GLN85 4.7 14.1 0.5 CD B:GLN85 4.7 15.5 0.5 CA B:LYS87 4.9 11.2 0.5 CA B:LYS87 4.9 12.2 0.5

Iodine binding site 10 out of 11 in the Crystal Structure of A Hypothetical Protein (BACUNI_04292) From Bacteroides Uniformis Atcc 8492 at 1.27 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 A Hypothetical Protein (BACUNI_04292) From Bacteroides Uniformis Atcc 8492 at 1.27 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:I203 b:15.6 occ:0.50 O A:HOH321 3.1 11.7 1.0 NE2 B:GLN122 3.2 22.3 1.0 OD1 B:ASN108 3.3 20.5 0.5 CG B:GLN122 3.6 14.9 1.0 O B:ASN108 3.7 17.0 1.0 CG B:ASN108 3.7 20.1 0.5 CB B:ASN108 3.8 12.8 0.5 CD B:GLN122 3.8 20.5 1.0 CB B:ASN108 3.8 16.2 0.5 CB B:PHE110 3.9 12.1 1.0 CB B:GLN122 4.0 12.4 1.0 C B:ASN108 4.0 11.3 1.0 O B:GLN122 4.0 10.8 1.0 CB B:ARG124 4.1 13.8 1.0 N B:PHE110 4.1 10.6 1.0 N B:ARG124 4.1 10.0 1.0 C B:GLN122 4.2 9.2 1.0 N B:CSO109 4.5 10.9 1.0 C B:CSO109 4.5 10.2 1.0 C B:ILE123 4.6 9.8 1.0 N B:ILE123 4.6 9.5 1.0 CA B:PHE110 4.6 10.6 1.0 CA B:ASN108 4.6 12.4 0.5 CA B:ASN108 4.6 11.4 0.5 CA B:ILE123 4.7 10.2 1.0 CA B:CSO109 4.7 10.6 1.0 ND2 B:ASN108 4.7 23.6 0.5 CA B:ARG124 4.7 11.8 1.0 CA B:GLN122 4.8 9.5 1.0 CG B:ASN108 4.9 13.3 0.5 OE1 B:GLN122 4.9 24.6 1.0

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