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

Protein crystallography data

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

Other elements in 4q53:

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

Iodine Binding Sites:

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 4q53

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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 4q53

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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 4q53

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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 4q53

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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 4q53

Go back to Iodine Binding Sites List in 4q53
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 4q53

Go back to Iodine Binding Sites List in 4q53
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 4q53

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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 4q53

Go back to Iodine Binding Sites List in 4q53
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 4q53

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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 4q53

Go back to Iodine Binding Sites List in 4q53
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

Reference:

Joint Center For Structural Genomics (Jcsg), Joint Center For Structural Genomics (Jcsg). N/A N/A.
Page generated: Sun Dec 13 19:36:34 2020

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