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Iodine in PDB 4xr0: Escherichia Coli Replication Terminator Protein (Tus) Complexed with Dna- G/T Mismatch.

Protein crystallography data

The structure of Escherichia Coli Replication Terminator Protein (Tus) Complexed with Dna- G/T Mismatch., PDB code: 4xr0 was solved by A.J.Oakley, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 62.45 / 2.80
Space group P 41 21 2
Cell size a, b, c (Å), α, β, γ (°) 64.523, 64.523, 248.335, 90.00, 90.00, 90.00
R / Rfree (%) 21.8 / 29.6

Iodine Binding Sites:

The binding sites of Iodine atom in the Escherichia Coli Replication Terminator Protein (Tus) Complexed with Dna- G/T Mismatch. (pdb code 4xr0). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 5 binding sites of Iodine where determined in the Escherichia Coli Replication Terminator Protein (Tus) Complexed with Dna- G/T Mismatch., PDB code: 4xr0:
Jump to Iodine binding site number: 1; 2; 3; 4; 5;

Iodine binding site 1 out of 5 in 4xr0

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Iodine binding site 1 out of 5 in the Escherichia Coli Replication Terminator Protein (Tus) Complexed with Dna- G/T Mismatch.


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Escherichia Coli Replication Terminator Protein (Tus) Complexed with Dna- G/T Mismatch. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I1001

b:40.9
occ:1.00
N A:ASP103 3.5 41.8 1.0
CA A:VAL102 3.8 37.3 1.0
O A:GLN101 3.8 40.8 1.0
C A:VAL102 3.8 39.8 1.0
NH1 A:ARG265 3.9 45.9 1.0
CG A:GLN101 4.1 40.5 1.0
CB A:ASP103 4.2 45.0 1.0
N A:VAL102 4.3 37.9 1.0
C A:GLN101 4.3 38.3 1.0
CD2 A:HIS31 4.3 33.2 1.0
OG A:SER106 4.3 36.5 1.0
CA A:ASP103 4.4 42.6 1.0
CZ A:ARG265 4.6 47.3 1.0
CG A:ASP103 4.6 48.3 1.0
NE2 A:GLN101 4.7 39.6 1.0
O A:VAL102 4.7 41.0 1.0
NE2 A:HIS31 4.7 33.3 1.0
CG A:ARG265 4.8 44.6 1.0
CD A:GLN101 4.9 40.7 1.0
OD1 A:ASP103 5.0 50.4 1.0

Iodine binding site 2 out of 5 in 4xr0

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Iodine binding site 2 out of 5 in the Escherichia Coli Replication Terminator Protein (Tus) Complexed with Dna- G/T Mismatch.


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of Escherichia Coli Replication Terminator Protein (Tus) Complexed with Dna- G/T Mismatch. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I1002

b:52.7
occ:0.80
OE1 A:GLN30 3.3 45.3 1.0
CB A:ALA26 4.2 38.3 1.0
CD2 A:HIS27 4.3 38.1 1.0
CD A:GLN30 4.6 43.8 1.0
NE2 A:HIS27 4.8 38.2 1.0

Iodine binding site 3 out of 5 in 4xr0

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Iodine binding site 3 out of 5 in the Escherichia Coli Replication Terminator Protein (Tus) Complexed with Dna- G/T Mismatch.


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 3 of Escherichia Coli Replication Terminator Protein (Tus) Complexed with Dna- G/T Mismatch. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I1003

b:55.1
occ:0.50
NH1 A:ARG232 2.6 39.6 1.0
CZ A:ARG232 3.8 38.7 1.0
NH2 A:ARG232 4.1 36.7 1.0
CG1 A:ILE177 4.3 29.1 1.0
CD1 A:ILE177 4.4 30.4 1.0
CD1 A:ILE230 4.6 28.2 1.0
CG1 A:ILE230 4.6 28.9 1.0
CG2 A:ILE230 4.6 29.3 1.0
CB A:ILE230 4.7 29.4 1.0
CB A:LYS179 4.9 32.4 1.0
CD A:LYS179 4.9 33.0 1.0
NE A:ARG232 4.9 36.9 1.0

Iodine binding site 4 out of 5 in 4xr0

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Iodine binding site 4 out of 5 in the Escherichia Coli Replication Terminator Protein (Tus) Complexed with Dna- G/T Mismatch.


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 4 of Escherichia Coli Replication Terminator Protein (Tus) Complexed with Dna- G/T Mismatch. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I1004

b:62.9
occ:0.50
N A:ALA36 3.7 42.5 1.0
N A:GLY63 3.8 49.3 1.0
O A:ALA36 3.8 40.0 1.0
CD2 A:LEU62 3.9 60.4 1.0
CG1 A:VAL35 4.0 43.5 1.0
CA A:VAL35 4.1 41.0 1.0
CA A:GLY63 4.2 48.7 1.0
CB A:LEU62 4.3 56.2 1.0
C A:VAL35 4.4 40.1 1.0
C A:ALA36 4.5 41.0 1.0
CA A:ALA36 4.5 41.3 1.0
CG A:LEU62 4.7 65.0 1.0
CB A:ALA36 4.7 39.6 1.0
CB A:VAL35 4.7 42.0 1.0
C A:LEU62 4.8 49.4 1.0
CA A:LEU62 4.8 50.0 1.0
O A:LEU34 4.8 45.1 1.0

Iodine binding site 5 out of 5 in 4xr0

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Iodine binding site 5 out of 5 in the Escherichia Coli Replication Terminator Protein (Tus) Complexed with Dna- G/T Mismatch.


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 5 of Escherichia Coli Replication Terminator Protein (Tus) Complexed with Dna- G/T Mismatch. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I1005

b:84.1
occ:0.50
CG A:GLN224 3.2 46.6 1.0
CB A:ASN225 3.7 40.4 1.0
CB A:GLN224 4.0 45.1 1.0
O A:GLN224 4.0 41.3 1.0
C A:GLN224 4.1 41.0 1.0
CD A:GLN224 4.2 48.0 1.0
CA A:ASN225 4.3 39.4 1.0
N A:ASN225 4.3 40.3 1.0
CA A:GLN224 4.7 42.4 1.0
OE1 A:GLN224 4.8 49.6 1.0
NE2 A:GLN224 4.9 47.7 1.0
CG A:ASN225 4.9 41.2 1.0

Reference:

M.M.Elshenawy, S.Jergic, Z.Q.Xu, M.A.Sobhy, M.Takahashi, A.J.Oakley, N.E.Dixon, S.M.Hamdan. Replisome Speed Determines the Efficiency of the Tus-Ter Replication Termination Barrier. Nature V. 525 394 2015.
ISSN: ESSN 1476-4687
PubMed: 26322585
DOI: 10.1038/NATURE14866
Page generated: Fri Aug 8 19:10:47 2025

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