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Iodine in PDB 4s3q: Amylomaltase Malq From Escherichia Coli in Complex with Maltose

Enzymatic activity of Amylomaltase Malq From Escherichia Coli in Complex with Maltose

All present enzymatic activity of Amylomaltase Malq From Escherichia Coli in Complex with Maltose:
2.4.1.25;

Protein crystallography data

The structure of Amylomaltase Malq From Escherichia Coli in Complex with Maltose, PDB code: 4s3q was solved by S.C.Weiss, A.Schiefner, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 34.23 / 2.10
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 75.132, 77.019, 128.403, 76.11, 75.48, 66.31
R / Rfree (%) 22.1 / 25.8

Iodine Binding Sites:

The binding sites of Iodine atom in the Amylomaltase Malq From Escherichia Coli in Complex with Maltose (pdb code 4s3q). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 8 binding sites of Iodine where determined in the Amylomaltase Malq From Escherichia Coli in Complex with Maltose, PDB code: 4s3q:
Jump to Iodine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Iodine binding site 1 out of 8 in 4s3q

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Iodine binding site 1 out of 8 in the Amylomaltase Malq From Escherichia Coli in Complex with Maltose


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Amylomaltase Malq From Escherichia Coli in Complex with Maltose within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I704

b:46.7
occ:1.00
 OG1 A:THR614 3.3 36.3 1.0
CE A:MET611 3.9 42.4 1.0
CG2 A:THR616 4.0 36.8 1.0
CB A:ALA604 4.0 42.3 1.0
CB A:THR616 4.1 36.5 1.0
CA A:ALA604 4.3 44.4 1.0
CB A:THR614 4.4 36.7 1.0
CG2 A:THR614 4.5 37.9 1.0
N A:LEU617 4.5 33.5 1.0
CB A:LEU617 4.6 33.0 1.0
N A:GLY605 4.8 43.7 1.0
CA A:LEU617 4.9 32.6 1.0
C A:THR616 5.0 33.7 1.0
OG1 A:THR616 5.0 38.0 1.0

Iodine binding site 2 out of 8 in 4s3q

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Iodine binding site 2 out of 8 in the Amylomaltase Malq From Escherichia Coli in Complex with Maltose


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of Amylomaltase Malq From Escherichia Coli in Complex with Maltose within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I705

b:69.0
occ:1.00
 O A:HOH844 3.5 37.7 1.0
O A:MET611 4.0 39.7 1.0
CG A:GLU557 4.1 35.5 1.0
CA A:SER612 4.1 39.0 1.0
CB A:SER612 4.2 40.2 1.0
CD1 A:TRP556 4.3 34.4 1.0
O A:TRP556 4.3 34.1 1.0
CA A:GLU557 4.3 34.9 1.0
CB A:GLU557 4.6 35.3 1.0
C A:MET611 4.7 40.7 1.0
N A:SER612 4.7 40.1 1.0
NE1 A:TRP556 4.8 35.2 1.0
C A:TRP556 4.9 33.3 1.0
N A:GLU557 5.0 33.3 1.0
NZ A:LYS587 5.0 33.6 1.0

Iodine binding site 3 out of 8 in 4s3q

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Iodine binding site 3 out of 8 in the Amylomaltase Malq From Escherichia Coli in Complex with Maltose


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 3 of Amylomaltase Malq From Escherichia Coli in Complex with Maltose within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I706

b:75.4
occ:1.00
 O A:HOH880 2.9 31.8 1.0
NH1 A:ARG660 3.4 32.5 1.0
O A:GLU196 3.5 33.0 1.0
O A:HOH829 3.5 29.5 1.0
O A:HOH957 3.6 33.6 1.0
N A:ALA198 3.6 30.8 1.0
CD1 A:TRP659 4.0 29.2 1.0
N A:SER199 4.1 29.6 1.0
NH2 A:ARG660 4.2 34.0 1.0
CB A:ALA198 4.3 30.3 1.0
CZ A:ARG660 4.3 33.1 1.0
CA A:ALA198 4.3 29.9 1.0
O A:HOH950 4.4 44.2 1.0
CA A:SER197 4.5 32.3 1.0
C A:SER197 4.5 31.1 1.0
NE1 A:TRP659 4.6 29.1 1.0
C A:ALA198 4.6 29.3 1.0
C A:GLU196 4.6 32.4 1.0
O A:ASN658 4.8 30.8 1.0
CB A:SER199 4.9 29.9 1.0
CA A:SER199 5.0 29.5 1.0

Iodine binding site 4 out of 8 in 4s3q

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Iodine binding site 4 out of 8 in the Amylomaltase Malq From Escherichia Coli in Complex with Maltose


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 4 of Amylomaltase Malq From Escherichia Coli in Complex with Maltose within 5.0Å range:
probe atom residue distance (Å) B Occ
B:I703

b:52.2
occ:1.00
 OG1 B:THR614 3.2 36.4 1.0
CE B:MET611 3.9 44.5 1.0
CB B:ALA604 3.9 47.5 1.0
NH2 B:ARG603 4.0 60.2 1.0
CB B:THR616 4.1 36.4 1.0
CG2 B:THR616 4.1 36.7 1.0
CA B:ALA604 4.3 49.1 1.0
CB B:THR614 4.4 37.0 1.0
N B:LEU617 4.5 33.4 1.0
CG2 B:THR614 4.5 37.9 1.0
CB B:LEU617 4.6 32.6 1.0
NH1 B:ARG603 4.8 62.6 1.0
N B:GLY605 4.9 47.7 1.0
CZ B:ARG603 4.9 61.8 1.0
OG1 B:THR616 4.9 37.4 1.0
CA B:LEU617 4.9 32.4 1.0
C B:THR616 5.0 33.9 1.0

Iodine binding site 5 out of 8 in 4s3q

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Iodine binding site 5 out of 8 in the Amylomaltase Malq From Escherichia Coli in Complex with Maltose


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 5 of Amylomaltase Malq From Escherichia Coli in Complex with Maltose within 5.0Å range:
probe atom residue distance (Å) B Occ
B:I704

b:76.0
occ:1.00
 O B:HOH844 3.5 26.1 1.0
O B:MET611 3.7 41.6 1.0
CA B:SER612 4.0 40.7 1.0
CA B:GLU557 4.2 34.1 1.0
CD1 B:TRP556 4.2 33.7 1.0
CG B:GLU557 4.2 34.8 1.0
O B:TRP556 4.3 34.1 1.0
CB B:SER612 4.4 41.8 1.0
C B:MET611 4.5 42.3 1.0
CB B:GLU557 4.5 34.5 1.0
NE1 B:TRP556 4.6 34.3 1.0
N B:SER612 4.7 41.9 1.0
N B:GLU557 4.8 33.2 1.0
C B:TRP556 4.8 33.1 1.0
NZ B:LYS587 4.9 34.7 1.0
N B:MET613 4.9 37.0 1.0
C B:SER612 4.9 39.0 1.0

Iodine binding site 6 out of 8 in 4s3q

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Iodine binding site 6 out of 8 in the Amylomaltase Malq From Escherichia Coli in Complex with Maltose


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 6 of Amylomaltase Malq From Escherichia Coli in Complex with Maltose within 5.0Å range:
probe atom residue distance (Å) B Occ
B:I705

b:69.9
occ:1.00
 O A:HOH969 3.4 37.0 1.0
OG B:SER689 3.6 42.8 1.0
NH1 A:ARG282 3.8 39.2 1.0
CD B:ARG686 3.8 37.3 1.0
NH2 A:ARG338 3.9 40.7 1.0
CZ A:ARG282 3.9 40.0 1.0
CD A:ARG282 3.9 41.0 1.0
NE A:ARG282 4.0 40.9 1.0
CB B:SER689 4.2 42.5 1.0
O B:ARG685 4.2 37.5 1.0
C B:ARG685 4.4 37.6 1.0
CA B:ARG686 4.4 36.5 1.0
N B:ARG686 4.6 36.7 1.0
CB B:ARG685 4.6 40.0 1.0
NH2 A:ARG282 4.6 40.1 1.0
NE B:ARG686 4.7 37.0 1.0
NH2 B:ARG686 4.8 38.2 1.0
CG B:ARG686 4.8 36.0 1.0

Iodine binding site 7 out of 8 in 4s3q

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Iodine binding site 7 out of 8 in the Amylomaltase Malq From Escherichia Coli in Complex with Maltose


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 7 of Amylomaltase Malq From Escherichia Coli in Complex with Maltose within 5.0Å range:
probe atom residue distance (Å) B Occ
C:I702

b:69.8
occ:1.00
 OG1 C:THR614 3.3 44.9 1.0
CB C:ALA604 3.8 60.3 1.0
CE C:MET611 3.9 59.2 1.0
CB C:THR616 3.9 44.8 1.0
CG2 C:THR616 4.0 45.2 1.0
CG2 C:THR614 4.3 46.4 1.0
N C:LEU617 4.3 42.0 1.0
CB C:THR614 4.4 45.2 1.0
CA C:ALA604 4.5 61.9 1.0
CB C:LEU617 4.5 41.6 1.0
OG1 C:THR616 4.8 45.9 1.0
CA C:LEU617 4.9 41.0 1.0
C C:THR616 4.9 42.1 1.0
CA C:THR616 5.0 43.2 1.0

Iodine binding site 8 out of 8 in 4s3q

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Iodine binding site 8 out of 8 in the Amylomaltase Malq From Escherichia Coli in Complex with Maltose


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 8 of Amylomaltase Malq From Escherichia Coli in Complex with Maltose within 5.0Å range:
probe atom residue distance (Å) B Occ
C:I703

b:83.3
occ:1.00
 O C:MET611 3.8 51.4 1.0
CA C:SER612 3.9 49.7 1.0
CB C:SER612 4.0 50.4 1.0
CG C:GLU557 4.0 40.3 1.0
O C:HOH861 4.1 37.2 1.0
O C:TRP556 4.2 40.2 1.0
CA C:GLU557 4.2 39.8 1.0
CD1 C:TRP556 4.2 41.1 1.0
CB C:GLU557 4.5 39.6 1.0
C C:MET611 4.7 53.0 1.0
NE1 C:TRP556 4.7 42.2 1.0
N C:SER612 4.7 51.8 1.0
C C:TRP556 4.8 39.2 1.0
NZ C:LYS587 4.8 41.3 1.0
N C:GLU557 4.8 38.9 1.0
N C:MET613 5.0 45.1 1.0
C C:SER612 5.0 47.3 1.0

Reference:

S.C.Weiss, A.Skerra, A.Schiefner. Structural Basis For the Interconversion of Maltodextrins By Malq, the Amylomaltase of Escherichia Coli. J.Biol.Chem. V. 290 21352 2015.
ISSN: ISSN 0021-9258
PubMed: 26139606
DOI: 10.1074/JBC.M115.667337
Page generated: Sun Aug 11 19:49:21 2024

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