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Iodine in PDB 6cvl: Crystal Structure of the Escherichia Coli Atpgs-Bound Metni Methionine Abc Transporter in Complex with Its Metq Binding Protein

Protein crystallography data

The structure of Crystal Structure of the Escherichia Coli Atpgs-Bound Metni Methionine Abc Transporter in Complex with Its Metq Binding Protein, PDB code: 6cvl was solved by P.T.Nguyen, J.T.Kaiser, D.C.Rees, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 39.85 / 2.95
Space group P 32 2 1
Cell size a, b, c (Å), α, β, γ (°) 107.960, 107.960, 354.520, 90.00, 90.00, 120.00
R / Rfree (%) 20.8 / 22.6

Other elements in 6cvl:

The structure of Crystal Structure of the Escherichia Coli Atpgs-Bound Metni Methionine Abc Transporter in Complex with Its Metq Binding Protein also contains other interesting chemical elements:

Mercury (Hg) 3 atoms

Iodine Binding Sites:

The binding sites of Iodine atom in the Crystal Structure of the Escherichia Coli Atpgs-Bound Metni Methionine Abc Transporter in Complex with Its Metq Binding Protein (pdb code 6cvl). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 2 binding sites of Iodine where determined in the Crystal Structure of the Escherichia Coli Atpgs-Bound Metni Methionine Abc Transporter in Complex with Its Metq Binding Protein, PDB code: 6cvl:
Jump to Iodine binding site number: 1; 2;

Iodine binding site 1 out of 2 in 6cvl

Go back to Iodine Binding Sites List in 6cvl
Iodine binding site 1 out of 2 in the Crystal Structure of the Escherichia Coli Atpgs-Bound Metni Methionine Abc Transporter in Complex with Its Metq Binding Protein


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 the Escherichia Coli Atpgs-Bound Metni Methionine Abc Transporter in Complex with Its Metq Binding Protein within 5.0Å range:
probe atom residue distance (Å) B Occ
D:I402

b:0.8
occ:1.00
HA D:GLN166 2.9 76.4 1.0
H D:THR168 2.9 77.2 1.0
HG1 D:THR168 2.9 78.5 1.0
HG1 D:THR198 2.9 72.6 1.0
OG1 D:THR168 3.1 73.8 1.0
HB D:THR198 3.3 74.3 1.0
HG21 D:VAL203 3.4 84.2 1.0
OG1 D:THR198 3.6 59.4 1.0
CA D:GLN166 3.7 61.6 1.0
N D:THR168 3.7 70.7 1.0
HA D:THR198 3.8 73.6 1.0
CB D:THR198 3.9 60.5 1.0
HB3 D:GLN166 3.9 76.9 1.0
C D:GLN166 3.9 62.3 1.0
HB3 D:SER169 4.0 83.1 1.0
H D:ALA167 4.1 77.6 1.0
HB2 D:GLU200 4.1 84.3 1.0
N D:SER169 4.1 69.6 1.0
HG11 D:VAL203 4.1 86.8 1.0
N D:ALA167 4.1 66.1 1.0
H D:SER169 4.1 79.0 1.0
C D:THR168 4.1 74.9 1.0
HG D:HG401 4.2 0.9 1.0
CB D:THR168 4.2 71.9 1.0
CA D:THR168 4.2 73.7 1.0
O D:ILE197 4.3 57.4 1.0
HA D:SER169 4.3 80.9 1.0
CG2 D:VAL203 4.4 74.5 1.0
CB D:GLN166 4.4 62.3 1.0
CA D:THR198 4.4 59.3 1.0
O D:GLN166 4.4 64.2 1.0
OE1 D:GLU200 4.5 90.3 1.0
HB D:VAL203 4.6 84.5 1.0
H D:HIS199 4.6 72.3 1.0
CA D:SER169 4.6 72.1 1.0
H D:GLU200 4.6 75.5 1.0
O D:THR168 4.7 77.1 1.0
HG23 D:VAL203 4.7 84.2 1.0
CD D:GLU200 4.7 83.3 1.0
H D:GLN166 4.8 75.1 1.0
CB D:SER169 4.8 73.8 1.0
C D:ALA167 4.8 66.3 1.0
N D:GLN166 4.8 60.1 1.0
CB D:VAL203 4.9 75.2 1.0
HG2 D:GLN166 4.9 80.7 1.0
CG1 D:VAL203 4.9 76.9 1.0
HG22 D:VAL203 4.9 84.2 1.0
OE2 D:GLU200 4.9 82.5 1.0

Iodine binding site 2 out of 2 in 6cvl

Go back to Iodine Binding Sites List in 6cvl
Iodine binding site 2 out of 2 in the Crystal Structure of the Escherichia Coli Atpgs-Bound Metni Methionine Abc Transporter in Complex with Its Metq Binding Protein


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 the Escherichia Coli Atpgs-Bound Metni Methionine Abc Transporter in Complex with Its Metq Binding Protein within 5.0Å range:
probe atom residue distance (Å) B Occ
D:I403

b:0.6
occ:1.00
HG D:HG401 2.5 0.9 1.0
HD11 D:LEU183 2.8 98.5 1.0
HG D:CYS164 2.8 80.8 1.0
HB3 D:ALA167 2.9 79.8 1.0
HD13 D:LEU183 2.9 98.5 1.0
SG D:CYS164 3.3 65.1 1.0
CD1 D:LEU183 3.3 76.0 1.0
HB3 D:CYS164 3.6 75.2 1.0
CB D:ALA167 3.7 68.9 1.0
HB1 D:ALA167 3.8 79.8 1.0
HD23 D:LEU180 3.9 93.0 1.0
HD22 D:LEU183 3.9 91.6 1.0
HD21 D:LEU183 3.9 91.6 1.0
HD12 D:LEU183 3.9 98.5 1.0
CB D:CYS164 4.0 58.3 1.0
HD21 D:LEU180 4.1 93.0 1.0
HB2 D:ALA167 4.2 79.8 1.0
HD22 D:LEU196 4.2 80.0 1.0
CD2 D:LEU183 4.2 69.7 1.0
HB2 D:CYS164 4.2 75.2 1.0
HD12 D:ILE87 4.3 92.8 1.0
CD2 D:LEU180 4.3 73.8 1.0
CG D:LEU183 4.4 74.4 1.0
HD21 D:LEU162 4.4 87.8 1.0
HD22 D:LEU180 4.4 93.0 1.0
H D:ALA167 4.5 77.6 1.0
HG22 D:ILE179 4.5 1.0 1.0
HD23 D:LEU162 4.6 87.8 1.0
HD11 D:ILE207 4.7 0.1 1.0
HB2 D:LEU196 4.7 78.3 1.0
HB3 D:LEU196 4.8 78.3 1.0
HG1 D:THR168 4.8 78.5 1.0
HG D:LEU183 4.8 95.6 1.0
CA D:ALA167 4.8 66.7 1.0
C D:ALA167 5.0 66.3 1.0
HG21 D:ILE194 5.0 84.4 1.0

Reference:

P.T.Nguyen, J.Y.Lai, A.T.Lee, J.T.Kaiser, D.C.Rees. Noncanonical Role For the Binding Protein in Substrate Uptake By the Metni Methionine Atp Binding Cassette (Abc) Transporter. Proc. Natl. Acad. Sci. V. 115 10596 2018U.S.A..
ISSN: ESSN 1091-6490
PubMed: 30352853
DOI: 10.1073/PNAS.1811003115
Page generated: Sun Dec 13 19:43:00 2020

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