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Chlorine in PDB 6fmp: KEAP1 - Peptide Complex

Protein crystallography data

The structure of KEAP1 - Peptide Complex, PDB code: 6fmp was solved by S.K.Talapatra, F.Kozielski, G.Wells, N.D.Georgakopoulos, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 47.92 / 2.92
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 76.409, 76.259, 208.284, 90.00, 90.00, 90.00
R / Rfree (%) 18.1 / 23.5

Other elements in 6fmp:

The structure of KEAP1 - Peptide Complex also contains other interesting chemical elements:

Sodium (Na) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the KEAP1 - Peptide Complex (pdb code 6fmp). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the KEAP1 - Peptide Complex, PDB code: 6fmp:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 6fmp

Go back to Chlorine Binding Sites List in 6fmp
Chlorine binding site 1 out of 2 in the KEAP1 - Peptide Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of KEAP1 - Peptide Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl701

b:70.1
occ:1.00
NH2 B:ARG380 3.1 57.1 1.0
ND2 B:ASN414 3.8 45.1 1.0
CZ B:ARG380 3.8 56.1 1.0
OG1 C:THR5 3.9 65.5 1.0
CG2 C:THR5 4.0 56.6 1.0
OE2 C:GLU7 4.2 59.2 1.0
NH1 B:ARG380 4.3 54.9 1.0
CD C:GLU7 4.3 63.8 1.0
CD B:ARG415 4.4 53.4 1.0
CH3 C:ACY1 4.5 64.8 1.0
NE B:ARG380 4.5 54.4 1.0
CG B:ARG415 4.5 49.3 1.0
CB C:THR5 4.6 65.8 1.0
NE B:ARG415 4.6 58.3 1.0
OE1 C:GLU7 4.7 65.7 1.0
CB C:GLU7 4.7 69.8 1.0
CG C:GLU7 4.7 62.5 1.0
CG B:ASN414 4.9 45.2 1.0
O C:HOH201 5.0 52.1 1.0
C C:ACY1 5.0 71.8 1.0

Chlorine binding site 2 out of 2 in 6fmp

Go back to Chlorine Binding Sites List in 6fmp
Chlorine binding site 2 out of 2 in the KEAP1 - Peptide Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of KEAP1 - Peptide Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl702

b:72.5
occ:1.00
ND1 B:HIS432 3.1 52.4 1.0
CE1 B:HIS437 3.5 54.4 1.0
CG1 B:VAL411 3.7 41.2 1.0
CB B:VAL411 3.9 48.3 1.0
CE1 B:HIS432 4.0 54.0 1.0
CG1 B:ILE435 4.1 47.7 1.0
CG B:HIS432 4.1 52.0 1.0
CB B:HIS432 4.3 49.8 1.0
NE2 B:HIS437 4.4 49.6 1.0
ND1 B:HIS437 4.5 54.5 1.0
CB B:ILE435 4.6 55.8 1.0
CG2 B:ILE435 4.7 55.1 1.0
O B:HOH832 4.7 38.5 1.0
CG2 B:VAL411 4.8 46.1 1.0
CD1 B:ILE435 4.8 47.0 1.0
CD B:PRO412 5.0 47.4 1.0

Reference:

N.D.Georgakopoulos, S.K.Talapatra, J.Gatliff, F.Kozielski, G.Wells. Modified Peptide Inhibitors of the KEAP1-NRF2 Protein-Protein Interaction Incorporating Unnatural Amino Acids. Chembiochem V. 19 1810 2018.
ISSN: ESSN 1439-7633
PubMed: 29927029
DOI: 10.1002/CBIC.201800170
Page generated: Sat Jul 12 14:06:12 2025

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