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Iodine in PDB 3qqm: Crystal Structure of A Putative Amino-Acid Aminotransferase (NP_104211.1) From Mesorhizobium Loti at 2.30 A Resolution

Protein crystallography data

The structure of Crystal Structure of A Putative Amino-Acid Aminotransferase (NP_104211.1) From Mesorhizobium Loti at 2.30 A Resolution, PDB code: 3qqm 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) 29.68 / 2.30
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 116.178, 215.574, 81.875, 90.00, 90.00, 90.00
R / Rfree (%) 19.3 / 24.1

Other elements in 3qqm:

The structure of Crystal Structure of A Putative Amino-Acid Aminotransferase (NP_104211.1) From Mesorhizobium Loti at 2.30 A Resolution also contains other interesting chemical elements:

Chlorine (Cl) 14 atoms

Iodine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 30; Page 4, Binding sites: 31 - 33;

Binding sites:

The binding sites of Iodine atom in the Crystal Structure of A Putative Amino-Acid Aminotransferase (NP_104211.1) From Mesorhizobium Loti at 2.30 A Resolution (pdb code 3qqm). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 33 binding sites of Iodine where determined in the Crystal Structure of A Putative Amino-Acid Aminotransferase (NP_104211.1) From Mesorhizobium Loti at 2.30 A Resolution, PDB code: 3qqm:
Jump to Iodine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iodine binding site 1 out of 33 in 3qqm

Go back to Iodine Binding Sites List in 3qqm
Iodine binding site 1 out of 33 in the Crystal Structure of A Putative Amino-Acid Aminotransferase (NP_104211.1) From Mesorhizobium Loti at 2.30 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 Amino-Acid Aminotransferase (NP_104211.1) From Mesorhizobium Loti at 2.30 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I221

b:28.6
occ:1.00
NH2 A:ARG212 3.4 24.4 1.0
N A:GLU90 3.6 24.5 1.0
NH2 B:ARG67 3.8 32.5 1.0
CD A:ARG71 3.9 24.3 1.0
CD1 A:TYR89 4.0 21.8 1.0
CA A:TYR89 4.2 21.9 1.0
CB A:ARG71 4.2 19.0 1.0
CZ A:ARG212 4.3 22.7 1.0
CB A:GLU90 4.3 26.9 1.0
O A:PRO88 4.4 20.6 1.0
C A:TYR89 4.4 23.4 1.0
CA A:GLU90 4.4 26.1 1.0
O A:GLU90 4.5 26.1 1.0
CD2 A:LEU211 4.5 13.9 1.0
CG A:ARG71 4.6 20.7 1.0
CE1 A:TYR89 4.6 21.3 1.0
CG A:GLU90 4.6 29.1 1.0
NH1 A:ARG212 4.7 23.4 1.0
C A:GLU90 4.8 25.9 1.0
CZ B:ARG67 4.8 32.0 1.0
OE1 A:GLU90 4.9 34.4 1.0
CG A:TYR89 4.9 21.5 1.0
NE A:ARG71 5.0 28.1 1.0
CB A:TYR89 5.0 21.5 1.0

Iodine binding site 2 out of 33 in 3qqm

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Iodine binding site 2 out of 33 in the Crystal Structure of A Putative Amino-Acid Aminotransferase (NP_104211.1) From Mesorhizobium Loti at 2.30 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 Amino-Acid Aminotransferase (NP_104211.1) From Mesorhizobium Loti at 2.30 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I225

b:27.7
occ:0.75
I A:IOD225 0.0 27.7 0.8
I A:IOD225 3.5 33.1 0.2
N A:LEU214 3.6 16.8 1.0
CA A:GLY213 4.0 16.3 1.0
C A:GLY213 4.3 16.5 1.0
CG A:LEU214 4.3 17.2 1.0
CB A:LEU214 4.4 17.7 1.0
CA A:LEU214 4.6 17.0 1.0
CD1 A:LEU214 4.6 17.4 1.0
CD1 A:LEU179 4.6 13.2 1.0
CL A:CL260 4.7 55.9 1.0

Iodine binding site 3 out of 33 in 3qqm

Go back to Iodine Binding Sites List in 3qqm
Iodine binding site 3 out of 33 in the Crystal Structure of A Putative Amino-Acid Aminotransferase (NP_104211.1) From Mesorhizobium Loti at 2.30 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 Amino-Acid Aminotransferase (NP_104211.1) From Mesorhizobium Loti at 2.30 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I225

b:33.1
occ:0.25
I A:IOD225 0.0 33.1 0.2
I A:IOD225 3.5 27.7 0.8
NH2 A:ARG31 3.6 18.4 1.0
NH1 A:ARG31 3.6 17.3 1.0
CA A:GLY213 3.9 16.3 1.0
CD2 A:LEU30 4.0 21.2 1.0
CZ A:ARG31 4.1 18.3 1.0
NH2 A:ARG22 4.3 19.9 1.0
N A:GLY213 4.6 16.0 1.0
CD1 A:LEU179 4.9 13.2 1.0

Iodine binding site 4 out of 33 in 3qqm

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Iodine binding site 4 out of 33 in the Crystal Structure of A Putative Amino-Acid Aminotransferase (NP_104211.1) From Mesorhizobium Loti at 2.30 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 Amino-Acid Aminotransferase (NP_104211.1) From Mesorhizobium Loti at 2.30 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I234

b:35.6
occ:0.65
O A:HOH1082 2.4 24.8 1.0
CD1 A:ILE153 3.3 17.8 1.0
NE A:ARG212 3.4 21.1 1.0
ND2 A:ASN209 3.7 13.2 1.0
CD A:ARG212 4.0 19.9 1.0
CD2 A:LEU211 4.3 13.9 1.0
CZ A:ARG212 4.4 22.7 1.0
CG A:ARG212 4.4 18.1 1.0
CG1 A:ILE153 4.4 15.9 1.0
O A:HOH867 4.4 25.1 1.0
NH2 A:ARG212 4.4 24.4 1.0
CG A:ASN209 4.7 13.5 1.0
CH2 A:TRP98 4.8 19.0 1.0
OD1 A:ASN209 4.9 14.2 1.0

Iodine binding site 5 out of 33 in 3qqm

Go back to Iodine Binding Sites List in 3qqm
Iodine binding site 5 out of 33 in the Crystal Structure of A Putative Amino-Acid Aminotransferase (NP_104211.1) From Mesorhizobium Loti at 2.30 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 Amino-Acid Aminotransferase (NP_104211.1) From Mesorhizobium Loti at 2.30 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:I236

b:42.8
occ:0.65
O B:HOH1084 3.0 17.3 1.0
NE B:ARG212 3.3 22.0 1.0
CD1 B:ILE153 3.4 16.5 1.0
ND2 B:ASN209 3.8 13.4 1.0
CD B:ARG212 3.8 20.6 1.0
CD2 B:LEU211 4.2 14.6 1.0
CZ B:ARG212 4.3 23.6 1.0
CH2 B:TRP98 4.3 19.3 1.0
CG B:ARG212 4.4 18.3 1.0
NH2 B:ARG212 4.5 23.7 1.0
CG1 B:ILE153 4.6 16.5 1.0
CG B:ASN209 4.8 14.8 1.0
OD1 B:ASN209 4.8 15.1 1.0
CZ2 B:TRP98 4.9 19.0 1.0

Iodine binding site 6 out of 33 in 3qqm

Go back to Iodine Binding Sites List in 3qqm
Iodine binding site 6 out of 33 in the Crystal Structure of A Putative Amino-Acid Aminotransferase (NP_104211.1) From Mesorhizobium Loti at 2.30 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 Amino-Acid Aminotransferase (NP_104211.1) From Mesorhizobium Loti at 2.30 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:I240

b:30.6
occ:0.50
N B:LEU214 3.6 18.0 1.0
O B:HOH771 3.7 22.2 1.0
CG B:LEU214 3.9 19.1 1.0
CA B:GLY213 4.1 17.6 1.0
CB B:LEU214 4.1 18.7 1.0
CD1 B:LEU214 4.2 19.5 1.0
C B:GLY213 4.3 17.5 1.0
NH1 B:ARG188 4.3 27.8 1.0
CD1 B:LEU179 4.4 17.0 1.0
CA B:LEU214 4.5 18.2 1.0

Iodine binding site 7 out of 33 in 3qqm

Go back to Iodine Binding Sites List in 3qqm
Iodine binding site 7 out of 33 in the Crystal Structure of A Putative Amino-Acid Aminotransferase (NP_104211.1) From Mesorhizobium Loti at 2.30 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 Amino-Acid Aminotransferase (NP_104211.1) From Mesorhizobium Loti at 2.30 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:I242

b:30.5
occ:0.45
CD1 B:LEU123 3.2 28.4 1.0
ND2 B:ASN111 3.4 24.5 1.0
N B:ASP108 3.5 23.4 1.0
CB B:ASP108 3.8 25.6 1.0
CB B:ASN111 4.1 26.2 1.0
CA B:LEU107 4.2 22.4 1.0
CG B:ASN111 4.3 26.2 1.0
CA B:ASP108 4.3 24.4 1.0
C B:LEU107 4.3 22.9 1.0
CD2 B:LEU107 4.5 21.9 1.0
CD2 B:LEU114 4.5 20.1 1.0
CG B:LEU123 4.6 26.8 1.0
O B:ASP108 4.6 24.6 1.0
CB B:LEU107 4.7 21.6 1.0
CD1 B:LEU114 4.8 20.4 1.0
CG B:LEU114 5.0 21.2 1.0
C B:ASP108 5.0 24.2 1.0
O B:ARG106 5.0 23.9 1.0
CB B:LEU123 5.0 25.1 1.0
CD2 B:LEU123 5.0 27.2 1.0

Iodine binding site 8 out of 33 in 3qqm

Go back to Iodine Binding Sites List in 3qqm
Iodine binding site 8 out of 33 in the Crystal Structure of A Putative Amino-Acid Aminotransferase (NP_104211.1) From Mesorhizobium Loti at 2.30 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 Amino-Acid Aminotransferase (NP_104211.1) From Mesorhizobium Loti at 2.30 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:I246

b:55.6
occ:0.30
O B:ALA56 3.9 24.4 1.0
CB B:ALA56 3.9 25.9 1.0
CA B:ALA56 4.0 24.9 1.0
CZ B:PHE32 4.0 23.5 1.0
CE2 B:PHE32 4.3 24.7 1.0
O B:HOH904 4.4 34.4 1.0
CB B:LEU59 4.4 19.2 1.0
C B:ALA56 4.4 24.6 1.0
CE2 B:PHE29 4.5 21.4 1.0
CD1 B:LEU59 4.6 18.2 1.0
N B:SER60 4.8 19.7 1.0

Iodine binding site 9 out of 33 in 3qqm

Go back to Iodine Binding Sites List in 3qqm
Iodine binding site 9 out of 33 in the Crystal Structure of A Putative Amino-Acid Aminotransferase (NP_104211.1) From Mesorhizobium Loti at 2.30 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 Putative Amino-Acid Aminotransferase (NP_104211.1) From Mesorhizobium Loti at 2.30 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
C:I226

b:38.8
occ:0.70
I C:IOD226 0.0 38.8 0.7
I C:IOD226 3.5 32.8 0.3
N C:LEU214 3.7 17.3 1.0
CG C:LEU214 4.1 17.8 1.0
CD1 C:LEU214 4.1 18.6 1.0
CA C:GLY213 4.1 17.1 1.0
CB C:LEU214 4.2 18.0 1.0
CD1 C:LEU179 4.4 16.3 1.0
C C:GLY213 4.4 17.1 1.0
NH1 C:ARG188 4.6 26.2 1.0
CA C:LEU214 4.6 17.6 1.0

Iodine binding site 10 out of 33 in 3qqm

Go back to Iodine Binding Sites List in 3qqm
Iodine binding site 10 out of 33 in the Crystal Structure of A Putative Amino-Acid Aminotransferase (NP_104211.1) From Mesorhizobium Loti at 2.30 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 Putative Amino-Acid Aminotransferase (NP_104211.1) From Mesorhizobium Loti at 2.30 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
C:I226

b:32.8
occ:0.30
I C:IOD226 0.0 32.8 0.3
I C:IOD226 3.5 38.8 0.7
NH2 C:ARG31 3.6 21.4 1.0
NH1 C:ARG31 3.6 21.1 1.0
CA C:GLY213 4.0 17.1 1.0
CZ C:ARG31 4.0 21.1 1.0
CD2 C:LEU30 4.1 24.1 1.0
NH2 C:ARG22 4.3 21.2 1.0
N C:GLY213 4.7 16.9 1.0
CD1 C:LEU179 4.8 16.3 1.0
CZ C:ARG22 5.0 21.2 1.0
NH1 C:ARG22 5.0 21.6 1.0

Reference:

Joint Center For Structural Genomics (Jcsg), Joint Center For Structural Genomics (Jcsg). N/A N/A.
Page generated: Sun Aug 11 16:17:00 2024

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