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Iodine in PDB 2a0n: Crystal Structure of Imidazole Glycerol Phosphate Synthase Subunit Hisf (Ec 4.1.3.-) (TM1036) From Thermotoga Maritima at 1.64 A Resolution

Protein crystallography data

The structure of Crystal Structure of Imidazole Glycerol Phosphate Synthase Subunit Hisf (Ec 4.1.3.-) (TM1036) From Thermotoga Maritima at 1.64 A Resolution, PDB code: 2a0n 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) 48.31 / 1.64
Space group P 61 2 2
Cell size a, b, c (Å), α, β, γ (°) 96.610, 96.610, 155.828, 90.00, 90.00, 120.00
R / Rfree (%) 16.7 / 19.2

Iodine Binding Sites:

The binding sites of Iodine atom in the Crystal Structure of Imidazole Glycerol Phosphate Synthase Subunit Hisf (Ec 4.1.3.-) (TM1036) From Thermotoga Maritima at 1.64 A Resolution (pdb code 2a0n). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 9 binding sites of Iodine where determined in the Crystal Structure of Imidazole Glycerol Phosphate Synthase Subunit Hisf (Ec 4.1.3.-) (TM1036) From Thermotoga Maritima at 1.64 A Resolution, PDB code: 2a0n:
Jump to Iodine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9;

Iodine binding site 1 out of 9 in 2a0n

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Iodine binding site 1 out of 9 in the Crystal Structure of Imidazole Glycerol Phosphate Synthase Subunit Hisf (Ec 4.1.3.-) (TM1036) From Thermotoga Maritima at 1.64 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 Imidazole Glycerol Phosphate Synthase Subunit Hisf (Ec 4.1.3.-) (TM1036) From Thermotoga Maritima at 1.64 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I254

b:17.2
occ:0.50
 O1 A:PO4261 3.2 39.4 0.8
OG A:SER101 3.3 17.1 0.5
OG A:SER101 3.5 27.2 0.5
O A:HOH401 3.5 16.5 1.0
N A:GLY81 3.9 19.7 1.0
CB A:SER101 4.0 18.8 0.5
CB A:SER101 4.0 19.7 0.5
O A:SER101 4.1 19.1 1.0
CB A:ASN103 4.1 17.9 1.0
O3 A:PO4261 4.1 41.2 0.8
CB A:ALA128 4.1 18.6 1.0
C A:SER101 4.2 18.9 1.0
P A:PO4261 4.4 14.6 0.8
CD2 A:LEU50 4.4 24.4 1.0
O A:HOH558 4.4 37.6 1.0
CA A:GLY81 4.5 22.0 1.0
N A:ILE102 4.6 18.1 1.0
C A:ILE102 4.6 16.8 1.0
N A:ASN103 4.7 16.1 1.0
CA A:GLY80 4.7 19.6 1.0
C A:GLY80 4.7 19.7 1.0
CA A:ILE102 4.7 17.7 1.0
CA A:SER101 4.8 17.3 1.0
O2 A:PO4261 4.8 24.9 0.8
O A:ILE102 4.9 17.3 1.0

Iodine binding site 2 out of 9 in 2a0n

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Iodine binding site 2 out of 9 in the Crystal Structure of Imidazole Glycerol Phosphate Synthase Subunit Hisf (Ec 4.1.3.-) (TM1036) From Thermotoga Maritima at 1.64 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 Imidazole Glycerol Phosphate Synthase Subunit Hisf (Ec 4.1.3.-) (TM1036) From Thermotoga Maritima at 1.64 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I255

b:25.7
occ:0.50
 NH1 A:ARG163 3.4 25.0 1.0
O A:HOH528 3.5 24.1 1.0
NH2 A:ARG163 4.0 21.4 1.0
CZ A:ARG163 4.2 17.6 1.0
CB A:SER111 4.2 18.7 1.0
OG A:SER111 4.9 17.8 1.0

Iodine binding site 3 out of 9 in 2a0n

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Iodine binding site 3 out of 9 in the Crystal Structure of Imidazole Glycerol Phosphate Synthase Subunit Hisf (Ec 4.1.3.-) (TM1036) From Thermotoga Maritima at 1.64 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 Imidazole Glycerol Phosphate Synthase Subunit Hisf (Ec 4.1.3.-) (TM1036) From Thermotoga Maritima at 1.64 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I256

b:24.1
occ:0.75
 O A:HOH343 3.4 24.0 1.0
O A:HOH549 3.9 41.7 1.0
CB A:PHE214 4.0 14.3 1.0
O A:PHE214 4.1 17.2 1.0
C A:PHE214 4.1 15.5 1.0
CG2 A:VAL246 4.3 19.6 1.0
CE A:LYS4 4.3 28.2 1.0
N A:LEU215 4.4 15.6 1.0
CD2 A:LEU215 4.4 18.1 1.0
O A:HOH455 4.5 32.9 1.0
CG1 A:VAL246 4.5 17.4 1.0
CA A:VAL246 4.6 17.3 1.0
CB A:VAL246 4.7 18.8 1.0
CA A:PHE214 4.7 16.4 1.0
CA A:LEU215 4.7 16.0 1.0
NZ A:LYS4 4.8 26.3 1.0

Iodine binding site 4 out of 9 in 2a0n

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Iodine binding site 4 out of 9 in the Crystal Structure of Imidazole Glycerol Phosphate Synthase Subunit Hisf (Ec 4.1.3.-) (TM1036) From Thermotoga Maritima at 1.64 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 Imidazole Glycerol Phosphate Synthase Subunit Hisf (Ec 4.1.3.-) (TM1036) From Thermotoga Maritima at 1.64 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I257

b:26.1
occ:0.35
 I A:IOD257 0.0 26.1 0.3
I A:IOD257 1.2 28.4 0.3
O A:HOH577 3.8 43.3 1.0
CA A:GLY43 3.9 22.6 1.0
CD A:LYS238 4.0 21.1 1.0
N A:GLU251 4.0 35.6 1.0
NZ A:LYS238 4.0 18.9 1.0
O A:ARG249 4.1 24.4 1.0
CD1 A:LEU250 4.1 42.5 1.0
NH1 A:ARG235 4.1 45.4 1.0
CA A:LEU250 4.2 31.8 1.0
CD A:ARG235 4.3 39.6 1.0
O A:GLY43 4.4 21.3 1.0
C A:LEU250 4.6 34.5 1.0
CE A:LYS238 4.6 22.0 1.0
C A:GLY43 4.7 22.4 1.0
CB A:GLU251 4.8 39.8 1.0
O A:ILE42 4.8 28.3 1.0
CZ A:ARG235 4.8 48.5 1.0
N A:GLY43 4.9 21.1 1.0
NE A:ARG235 4.9 43.8 1.0
CA A:GLU251 4.9 39.6 1.0
NH1 A:ARG249 4.9 33.8 1.0
C A:ARG249 5.0 22.8 1.0
CG A:LEU250 5.0 39.0 1.0
NH2 A:ARG249 5.0 29.6 1.0

Iodine binding site 5 out of 9 in 2a0n

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Iodine binding site 5 out of 9 in the Crystal Structure of Imidazole Glycerol Phosphate Synthase Subunit Hisf (Ec 4.1.3.-) (TM1036) From Thermotoga Maritima at 1.64 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 Imidazole Glycerol Phosphate Synthase Subunit Hisf (Ec 4.1.3.-) (TM1036) From Thermotoga Maritima at 1.64 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I257

b:28.4
occ:0.35
 I A:IOD257 0.0 28.4 0.3
I A:IOD257 1.2 26.1 0.3
O A:HOH577 3.0 43.3 1.0
N A:GLU251 3.6 35.6 1.0
NH1 A:ARG249 3.8 33.8 1.0
O A:ARG249 3.8 24.4 1.0
NZ A:LYS238 3.8 18.9 1.0
CA A:GLY43 4.0 22.6 1.0
CZ A:ARG249 4.1 34.3 1.0
NH2 A:ARG249 4.1 29.6 1.0
CB A:GLU251 4.1 39.8 1.0
CA A:LEU250 4.2 31.8 1.0
O A:GLY43 4.4 21.3 1.0
C A:LEU250 4.4 34.5 1.0
CA A:GLU251 4.5 39.6 1.0
CD A:LYS238 4.5 21.1 1.0
C A:ARG249 4.6 22.8 1.0
C A:GLY43 4.7 22.4 1.0
N A:LEU250 4.7 28.5 1.0
CE A:LYS238 4.8 22.0 1.0
NH1 A:ARG235 4.8 45.4 1.0
CD1 A:LEU250 4.9 42.5 1.0
NE A:ARG249 5.0 28.5 1.0

Iodine binding site 6 out of 9 in 2a0n

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Iodine binding site 6 out of 9 in the Crystal Structure of Imidazole Glycerol Phosphate Synthase Subunit Hisf (Ec 4.1.3.-) (TM1036) From Thermotoga Maritima at 1.64 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 Imidazole Glycerol Phosphate Synthase Subunit Hisf (Ec 4.1.3.-) (TM1036) From Thermotoga Maritima at 1.64 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I258

b:20.7
occ:0.25
 I A:IOD258 0.0 20.7 0.2
I A:IOD258 1.0 22.6 0.2
O A:HOH573 3.2 40.4 1.0
O A:HOH507 3.5 43.4 1.0
CA A:GLU34 3.7 23.1 1.0
CB A:GLU34 3.7 22.9 1.0
N A:GLU34 3.9 23.0 1.0
CG A:GLU34 4.0 26.8 1.0
CG1 A:VAL33 4.2 22.2 1.0
CD A:GLN72 4.4 33.7 1.0
OE1 A:GLN72 4.4 29.2 1.0
C A:VAL33 4.4 22.1 1.0
CG A:GLN72 4.5 26.3 1.0
OD2 A:ASP31 4.5 30.3 1.0
CD A:LYS37 4.6 35.3 1.0
O A:VAL33 4.7 24.5 1.0
O A:HOH453 4.8 33.8 1.0
CB A:VAL33 4.8 22.4 1.0
NE2 A:GLN72 4.9 30.1 1.0
CD A:GLU34 5.0 27.8 1.0

Iodine binding site 7 out of 9 in 2a0n

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Iodine binding site 7 out of 9 in the Crystal Structure of Imidazole Glycerol Phosphate Synthase Subunit Hisf (Ec 4.1.3.-) (TM1036) From Thermotoga Maritima at 1.64 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 Imidazole Glycerol Phosphate Synthase Subunit Hisf (Ec 4.1.3.-) (TM1036) From Thermotoga Maritima at 1.64 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I258

b:22.6
occ:0.25
 I A:IOD258 0.0 22.6 0.2
I A:IOD258 1.0 20.7 0.2
OE1 A:GLN72 3.5 29.2 1.0
CD A:GLN72 3.6 33.7 1.0
CG A:GLN72 3.9 26.3 1.0
O A:HOH573 3.9 40.4 1.0
CD A:LYS37 4.0 35.3 1.0
NE2 A:GLN72 4.1 30.1 1.0
O A:HOH507 4.2 43.4 1.0
CA A:GLU34 4.2 23.1 1.0
CG1 A:VAL33 4.4 22.2 1.0
NZ A:LYS37 4.4 42.0 1.0
CB A:GLU34 4.5 22.9 1.0
N A:GLU34 4.5 23.0 1.0
CG A:GLU34 4.6 26.8 1.0
CB A:GLN72 4.7 23.8 1.0
CE A:LYS37 4.8 39.7 1.0
CB A:LYS37 4.8 21.9 1.0
C A:VAL33 4.9 22.1 1.0
O A:VAL33 4.9 24.5 1.0

Iodine binding site 8 out of 9 in 2a0n

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Iodine binding site 8 out of 9 in the Crystal Structure of Imidazole Glycerol Phosphate Synthase Subunit Hisf (Ec 4.1.3.-) (TM1036) From Thermotoga Maritima at 1.64 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 Imidazole Glycerol Phosphate Synthase Subunit Hisf (Ec 4.1.3.-) (TM1036) From Thermotoga Maritima at 1.64 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I259

b:20.5
occ:0.25
 O A:HOH412 2.6 42.6 1.0
O A:HOH458 3.0 36.7 1.0
O A:HOH377 3.0 34.8 1.0
O A:ASP155 3.8 19.7 1.0
C A:ASP155 3.9 18.5 1.0
CB A:GLU159 4.0 18.9 1.0
CB A:ASP155 4.0 18.3 1.0
CA A:TRP156 4.1 17.9 1.0
CE3 A:TRP156 4.1 19.1 1.0
N A:TRP156 4.1 17.3 1.0
CG2 A:ILE151 4.1 19.9 1.0
CG A:GLU159 4.4 18.6 1.0
O A:HOH321 4.4 18.9 1.0
CA A:ASP155 4.6 17.3 1.0
CB A:TRP156 4.7 18.4 1.0
CZ3 A:TRP156 4.9 21.4 1.0
OE1 A:GLU159 5.0 23.2 1.0

Iodine binding site 9 out of 9 in 2a0n

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Iodine binding site 9 out of 9 in the Crystal Structure of Imidazole Glycerol Phosphate Synthase Subunit Hisf (Ec 4.1.3.-) (TM1036) From Thermotoga Maritima at 1.64 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 Imidazole Glycerol Phosphate Synthase Subunit Hisf (Ec 4.1.3.-) (TM1036) From Thermotoga Maritima at 1.64 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I260

b:27.0
occ:0.25
 O A:HOH327 3.6 27.9 1.0
O A:HOH425 3.6 30.5 1.0
CB A:ASP45 4.0 16.7 1.0
OD1 A:ASP45 4.0 19.1 1.0
CG A:ASP45 4.0 18.2 1.0
CG A:ARG5 4.1 17.7 1.0
NE A:ARG249 4.1 28.5 1.0
CD A:ARG249 4.2 32.4 1.0
O A:HOH566 4.2 53.4 1.0
CD A:ARG5 4.5 23.5 1.0
CB A:ARG249 4.6 22.9 1.0
OD2 A:ASP45 4.6 16.9 1.0
CA A:ASP45 4.9 17.4 1.0
O A:HOH423 4.9 25.2 1.0

Reference:

Joint Center For Structural Genomics (Jcsg), Joint Center For Structural Genomics (Jcsg). N/A N/A.
Page generated: Sun Aug 11 13:10:42 2024

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