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Iodine in PDB 6pu1: Cysteine Stabilized Hexameric Hiv-1 Ca in Complex with SEC24C Peptide

Protein crystallography data

The structure of Cysteine Stabilized Hexameric Hiv-1 Ca in Complex with SEC24C Peptide, PDB code: 6pu1 was solved by J.J.Lindenberger, M.Kvaratskhelia, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 47.00 / 2.28
Space group P 6
Cell size a, b, c (Å), α, β, γ (°) 92.58, 92.58, 58.019, 90, 90, 120
R / Rfree (%) 23.2 / 27.2

Other elements in 6pu1:

The structure of Cysteine Stabilized Hexameric Hiv-1 Ca in Complex with SEC24C Peptide also contains other interesting chemical elements:

Chlorine (Cl) 3 atoms

Iodine Binding Sites:

The binding sites of Iodine atom in the Cysteine Stabilized Hexameric Hiv-1 Ca in Complex with SEC24C Peptide (pdb code 6pu1). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 3 binding sites of Iodine where determined in the Cysteine Stabilized Hexameric Hiv-1 Ca in Complex with SEC24C Peptide, PDB code: 6pu1:
Jump to Iodine binding site number: 1; 2; 3;

Iodine binding site 1 out of 3 in 6pu1

Go back to Iodine Binding Sites List in 6pu1
Iodine binding site 1 out of 3 in the Cysteine Stabilized Hexameric Hiv-1 Ca in Complex with SEC24C Peptide


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Cysteine Stabilized Hexameric Hiv-1 Ca in Complex with SEC24C Peptide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I301

b:82.0
occ:1.00
NH1 A:ARG173 3.7 51.0 1.0
CG A:LYS170 3.8 59.8 1.0
CD A:ARG173 4.0 53.7 1.0
OE1 A:GLU35 4.1 68.4 1.0
CB A:LYS170 4.5 59.5 1.0
CG A:PRO34 4.5 62.3 1.0
CD A:LYS170 4.5 71.8 1.0
CA A:LYS170 4.6 55.1 1.0
CZ A:ARG173 4.6 48.6 1.0
CD A:PRO34 4.6 60.3 1.0
NE A:ARG173 4.7 52.4 1.0
CE A:LYS170 4.7 73.3 1.0
CB A:PRO34 4.8 61.7 1.0
O A:LYS170 4.8 56.1 1.0

Iodine binding site 2 out of 3 in 6pu1

Go back to Iodine Binding Sites List in 6pu1
Iodine binding site 2 out of 3 in the Cysteine Stabilized Hexameric Hiv-1 Ca in Complex with SEC24C Peptide


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of Cysteine Stabilized Hexameric Hiv-1 Ca in Complex with SEC24C Peptide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I302

b:80.1
occ:1.00
N A:ALA92 3.8 90.7 1.0
CB A:GLN95 4.1 117.0 1.0
CB A:ALA92 4.2 90.7 1.0
CG2 A:ILE91 4.4 74.6 1.0
CA A:ILE91 4.4 83.0 1.0
CG A:GLN95 4.4 124.3 1.0
CA A:ALA92 4.6 92.3 1.0
C A:ILE91 4.6 87.3 1.0
CD1 A:ILE91 4.7 71.0 1.0
O A:MET96 4.8 79.7 1.0
O A:PRO90 4.8 89.2 1.0
CB A:ILE91 5.0 76.3 1.0

Iodine binding site 3 out of 3 in 6pu1

Go back to Iodine Binding Sites List in 6pu1
Iodine binding site 3 out of 3 in the Cysteine Stabilized Hexameric Hiv-1 Ca in Complex with SEC24C Peptide


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 3 of Cysteine Stabilized Hexameric Hiv-1 Ca in Complex with SEC24C Peptide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I305

b:91.9
occ:1.00
NE A:ARG162 3.8 72.5 1.0
OE1 A:GLN219 4.0 111.2 1.0
NH2 A:ARG162 4.1 77.2 1.0
CD A:GLN219 4.3 112.0 1.0
O A:MET215 4.3 70.4 1.0
CG A:GLN219 4.4 106.1 1.0
CB A:ARG162 4.4 62.3 1.0
CZ A:ARG162 4.4 75.7 1.0
CB A:MET215 4.5 70.1 1.0
CG A:ARG162 4.6 59.0 1.0
CE A:MET215 4.7 69.0 1.0
C A:MET215 4.8 76.5 1.0
CD A:ARG162 4.8 63.5 1.0

Reference:

J.J.Lindenberger, M.Kvaratskhelia. Cysteine Stabilized Hexameric Hiv-1 Ca in Complex with SEC24C Peptide To Be Published.
Page generated: Sun Jan 24 17:32:08 2021

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