Chlorine in PDB 7rec: Structure of THR354ASN, GLU355GLN, THR412ASN, ILE414MET, ILE464HIS, and PHE467MET Mutant Human Camkii Alpha Hub Bound to 5-Hdc

The structure of Structure of THR354ASN, GLU355GLN, THR412ASN, ILE414MET, ILE464HIS, and PHE467MET Mutant Human Camkii Alpha Hub Bound to 5-Hdc, PDB code: 7rec was solved by E.D.Mcspadden, C.C.Chi, C.L.Gee, J.Kuriyan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	91.48 / 2.20
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	101.433, 182.958, 106.466, 90, 90, 90
R / Rfree (%)	20.9 / 24.4

The structure of Structure of THR354ASN, GLU355GLN, THR412ASN, ILE414MET, ILE464HIS, and PHE467MET Mutant Human Camkii Alpha Hub Bound to 5-Hdc also contains other interesting chemical elements:

Sodium

(Na)

1 atom

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 12;

Binding sites:

The binding sites of Chlorine atom in the Structure of THR354ASN, GLU355GLN, THR412ASN, ILE414MET, ILE464HIS, and PHE467MET Mutant Human Camkii Alpha Hub Bound to 5-Hdc (pdb code 7rec). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 12 binding sites of Chlorine where determined in the Structure of THR354ASN, GLU355GLN, THR412ASN, ILE414MET, ILE464HIS, and PHE467MET Mutant Human Camkii Alpha Hub Bound to 5-Hdc, PDB code: 7rec:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 12 in the Structure of THR354ASN, GLU355GLN, THR412ASN, ILE414MET, ILE464HIS, and PHE467MET Mutant Human Camkii Alpha Hub Bound to 5-Hdc


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of THR354ASN, GLU355GLN, THR412ASN, ILE414MET, ILE464HIS, and PHE467MET Mutant Human Camkii Alpha Hub Bound to 5-Hdc within 5.0Å range: probe atom residue distance (Å) B Occ G:Cl500 b:92.6 occ:1.00 CL1 G:7ZV500 0.0 92.6 1.0 C9 G:7ZV500 1.8 85.8 1.0 C4 G:7ZV500 2.7 81.1 1.0 C8 G:7ZV500 2.8 85.0 1.0 N G:7ZV500 3.0 75.9 1.0 NH2 G:ARG433 3.1 81.2 1.0 CZ G:ARG433 3.5 79.6 1.0 NH1 G:ARG433 3.5 79.7 1.0 NH2 G:ARG469 3.6 68.4 1.0 OG G:SER474 3.6 107.4 1.0 CZ G:ARG469 3.8 67.9 1.0 C3 G:7ZV500 3.9 70.8 1.0 C5 G:7ZV500 4.0 82.5 1.0 C7 G:7ZV500 4.0 85.2 1.0 NH1 G:ARG469 4.2 68.8 1.0 O1 G:7ZV500 4.2 59.1 1.0 C10 G:7ZV500 4.3 70.7 1.0 NE G:ARG469 4.3 66.6 1.0 NE G:ARG433 4.4 79.7 1.0 CB G:SER474 4.5 107.7 1.0 C G:SER474 4.5 107.9 1.0 C6 G:7ZV500 4.6 84.5 1.0 CG2 G:ILE361 4.6 77.1 1.0 OE2 G:GLU451 4.6 62.0 1.0 C2 G:7ZV500 5.0 66.5 1.0

Chlorine binding site 2 out of 12 in the Structure of THR354ASN, GLU355GLN, THR412ASN, ILE414MET, ILE464HIS, and PHE467MET Mutant Human Camkii Alpha Hub Bound to 5-Hdc


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of THR354ASN, GLU355GLN, THR412ASN, ILE414MET, ILE464HIS, and PHE467MET Mutant Human Camkii Alpha Hub Bound to 5-Hdc within 5.0Å range: probe atom residue distance (Å) B Occ G:Cl500 b:83.2 occ:1.00 CL G:7ZV500 0.0 83.2 1.0 C5 G:7ZV500 1.8 82.5 1.0 C6 G:7ZV500 2.7 84.5 1.0 C4 G:7ZV500 2.8 81.1 1.0 N G:7ZV500 3.0 75.9 1.0 C3 G:7ZV500 3.3 70.8 1.0 C10 G:7ZV500 3.6 70.7 1.0 CB G:TYR398 3.7 65.6 1.0 O G:TYR398 3.8 71.8 1.0 CE1 G:PHE399 3.8 74.7 1.0 CD1 G:PHE399 3.9 74.3 1.0 C G:TYR398 3.9 71.7 1.0 C2 G:7ZV500 4.0 66.5 1.0 C7 G:7ZV500 4.0 85.2 1.0 C9 G:7ZV500 4.0 85.8 1.0 CG2 G:ILE361 4.1 77.1 1.0 N G:PHE399 4.2 74.5 1.0 CD2 G:LEU402 4.2 102.6 1.0 CZ G:PHE399 4.3 74.9 1.0 CG G:PHE399 4.4 76.7 1.0 CA G:TYR398 4.5 68.2 1.0 C1 G:7ZV500 4.5 63.1 1.0 C8 G:7ZV500 4.6 85.0 1.0 C11 G:7ZV500 4.6 69.3 1.0 CA G:PHE399 4.6 77.6 1.0 O G:ILE361 4.7 89.0 1.0 CE2 G:PHE399 4.8 76.4 1.0 CD2 G:PHE399 4.8 77.7 1.0 C13 G:7ZV500 4.9 66.3 1.0 CG G:TYR398 4.9 67.0 1.0

Chlorine binding site 3 out of 12 in the Structure of THR354ASN, GLU355GLN, THR412ASN, ILE414MET, ILE464HIS, and PHE467MET Mutant Human Camkii Alpha Hub Bound to 5-Hdc


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structure of THR354ASN, GLU355GLN, THR412ASN, ILE414MET, ILE464HIS, and PHE467MET Mutant Human Camkii Alpha Hub Bound to 5-Hdc within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl500 b:67.4 occ:1.00 CL1 D:7ZV500 0.0 67.4 1.0 C9 D:7ZV500 1.8 67.2 1.0 C8 D:7ZV500 2.8 67.3 1.0 C4 D:7ZV500 2.8 68.1 1.0 N D:7ZV500 3.0 66.4 1.0 C3 D:7ZV500 3.2 63.8 1.0 C10 D:7ZV500 3.5 63.0 1.0 O D:TYR398 3.8 73.3 1.0 CB D:TYR398 4.0 66.9 1.0 C D:TYR398 4.0 71.7 1.0 C2 D:7ZV500 4.0 61.1 1.0 C7 D:7ZV500 4.0 67.8 1.0 C5 D:7ZV500 4.0 69.8 1.0 CE1 D:PHE399 4.1 69.7 1.0 CD1 D:PHE399 4.1 72.3 1.0 CG2 D:ILE361 4.2 65.5 1.0 N D:PHE399 4.3 74.0 1.0 C11 D:7ZV500 4.4 62.7 1.0 CZ D:PHE399 4.5 69.6 1.0 CG D:PHE399 4.5 73.7 1.0 C6 D:7ZV500 4.6 69.3 1.0 CA D:PHE399 4.6 75.3 1.0 C1 D:7ZV500 4.6 58.1 1.0 CA D:TYR398 4.7 69.0 1.0 CD1 D:LEU402 4.8 104.6 1.0 CE2 D:PHE399 4.8 70.1 1.0 C13 D:7ZV500 4.8 61.3 1.0 CD2 D:PHE399 4.8 72.3 1.0 C12 D:7ZV500 5.0 63.6 1.0

Chlorine binding site 4 out of 12 in the Structure of THR354ASN, GLU355GLN, THR412ASN, ILE414MET, ILE464HIS, and PHE467MET Mutant Human Camkii Alpha Hub Bound to 5-Hdc


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Structure of THR354ASN, GLU355GLN, THR412ASN, ILE414MET, ILE464HIS, and PHE467MET Mutant Human Camkii Alpha Hub Bound to 5-Hdc within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl500 b:72.4 occ:1.00 CL D:7ZV500 0.0 72.4 1.0 C5 D:7ZV500 1.8 69.8 1.0 C4 D:7ZV500 2.7 68.1 1.0 C6 D:7ZV500 2.8 69.3 1.0 N D:7ZV500 3.0 66.4 1.0 NH2 D:ARG433 3.2 77.9 1.0 OG D:SER474 3.4 77.9 1.0 CZ D:ARG433 3.7 76.9 1.0 NH2 D:ARG469 3.7 75.0 1.0 C3 D:7ZV500 3.9 63.8 1.0 O1 D:7ZV500 4.0 54.6 1.0 CZ D:ARG469 4.0 72.5 1.0 C9 D:7ZV500 4.0 67.2 1.0 C7 D:7ZV500 4.0 67.8 1.0 NE D:ARG469 4.1 67.3 1.0 NH1 D:ARG433 4.1 77.5 1.0 OE2 D:GLU451 4.2 67.9 1.0 NE D:ARG433 4.3 70.9 1.0 CB D:SER474 4.3 82.5 1.0 C10 D:7ZV500 4.4 63.0 1.0 C8 D:7ZV500 4.6 67.3 1.0 CG2 D:ILE361 4.6 65.5 1.0 NH1 D:ARG469 4.7 76.6 1.0 C2 D:7ZV500 4.9 61.1 1.0 NH2 D:ARG453 4.9 55.2 1.0 CD D:ARG469 5.0 64.1 1.0 C D:7ZV500 5.0 56.6 1.0

Chlorine binding site 5 out of 12 in the Structure of THR354ASN, GLU355GLN, THR412ASN, ILE414MET, ILE464HIS, and PHE467MET Mutant Human Camkii Alpha Hub Bound to 5-Hdc


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Structure of THR354ASN, GLU355GLN, THR412ASN, ILE414MET, ILE464HIS, and PHE467MET Mutant Human Camkii Alpha Hub Bound to 5-Hdc within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl500 b:74.2 occ:1.00 CL1 B:7ZV500 0.0 74.2 1.0 C9 B:7ZV500 1.8 74.8 1.0 C4 B:7ZV500 2.7 76.3 1.0 C8 B:7ZV500 2.8 75.0 1.0 N B:7ZV500 3.0 70.4 1.0 C3 B:7ZV500 3.2 64.8 1.0 C10 B:7ZV500 3.3 60.7 1.0 C5 B:7ZV500 4.0 82.8 1.0 CD1 B:LEU402 4.0 68.8 1.0 C7 B:7ZV500 4.0 76.3 1.0 C2 B:7ZV500 4.2 64.0 1.0 CE1 B:PHE399 4.3 96.3 1.0 CD1 B:PHE399 4.3 95.1 1.0 C11 B:7ZV500 4.3 59.1 1.0 CB B:TYR398 4.3 63.2 1.0 O B:TYR398 4.4 74.2 1.0 CG2 B:ILE361 4.4 91.8 1.0 C B:TYR398 4.4 73.1 1.0 N B:PHE399 4.5 77.2 1.0 C6 B:7ZV500 4.6 79.1 1.0 CZ B:PHE399 4.6 98.4 1.0 CG B:PHE399 4.6 94.8 1.0 CA B:PHE399 4.7 84.0 1.0 C1 B:7ZV500 4.8 67.4 1.0 CE2 B:PHE399 4.8 100.9 1.0 CD2 B:PHE399 4.9 98.6 1.0 C13 B:7ZV500 5.0 61.0 1.0

Chlorine binding site 6 out of 12 in the Structure of THR354ASN, GLU355GLN, THR412ASN, ILE414MET, ILE464HIS, and PHE467MET Mutant Human Camkii Alpha Hub Bound to 5-Hdc


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Structure of THR354ASN, GLU355GLN, THR412ASN, ILE414MET, ILE464HIS, and PHE467MET Mutant Human Camkii Alpha Hub Bound to 5-Hdc within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl500 b:92.8 occ:1.00 CL B:7ZV500 0.0 92.8 1.0 C5 B:7ZV500 1.8 82.8 1.0 OG B:SER474 2.7 92.1 1.0 C6 B:7ZV500 2.8 79.1 1.0 C4 B:7ZV500 2.8 76.3 1.0 N B:7ZV500 3.0 70.4 1.0 NH2 B:ARG433 3.4 81.9 1.0 CB B:SER474 3.5 93.9 1.0 O1 B:7ZV500 3.5 72.4 1.0 CZ B:ARG433 4.0 83.1 1.0 C3 B:7ZV500 4.0 64.8 1.0 C7 B:7ZV500 4.0 76.3 1.0 C9 B:7ZV500 4.0 74.8 1.0 CZ B:ARG469 4.2 72.2 1.0 NE B:ARG469 4.2 70.9 1.0 NH2 B:ARG469 4.3 72.3 1.0 NE B:ARG433 4.4 83.9 1.0 CG2 B:ILE361 4.4 91.8 1.0 C8 B:7ZV500 4.6 75.0 1.0 C10 B:7ZV500 4.6 60.7 1.0 NH1 B:ARG433 4.6 82.3 1.0 C B:7ZV500 4.6 71.3 1.0 NH1 B:ARG469 4.6 72.5 1.0 OE1 B:GLU451 4.7 73.0 1.0 CA B:SER474 4.7 87.9 1.0 CD B:ARG469 4.8 70.1 1.0 C2 B:7ZV500 4.9 64.0 1.0

Chlorine binding site 7 out of 12 in the Structure of THR354ASN, GLU355GLN, THR412ASN, ILE414MET, ILE464HIS, and PHE467MET Mutant Human Camkii Alpha Hub Bound to 5-Hdc


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Structure of THR354ASN, GLU355GLN, THR412ASN, ILE414MET, ILE464HIS, and PHE467MET Mutant Human Camkii Alpha Hub Bound to 5-Hdc within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl501 b:87.0 occ:1.00 CL1 C:7ZV501 0.0 87.0 1.0 C9 C:7ZV501 1.8 86.3 1.0 C4 C:7ZV501 2.8 85.4 1.0 C8 C:7ZV501 2.8 87.4 1.0 N C:7ZV501 3.0 78.7 1.0 C3 C:7ZV501 3.2 72.2 1.0 C10 C:7ZV501 3.4 69.9 1.0 CB C:TYR398 3.8 65.9 1.0 O C:TYR398 3.8 74.6 1.0 C C:TYR398 4.0 76.2 1.0 C5 C:7ZV501 4.0 91.4 1.0 C7 C:7ZV501 4.1 89.1 1.0 C2 C:7ZV501 4.1 68.4 1.0 CE1 C:PHE399 4.1 64.1 1.0 CD1 C:PHE399 4.2 66.1 1.0 CD1 C:LEU402 4.3 114.2 1.0 N C:PHE399 4.3 73.8 1.0 CG2 C:ILE361 4.3 73.5 1.0 C11 C:7ZV501 4.3 68.9 1.0 CZ C:PHE399 4.5 64.8 1.0 CA C:TYR398 4.5 69.4 1.0 C6 C:7ZV501 4.6 90.6 1.0 CG C:PHE399 4.6 68.6 1.0 CA C:PHE399 4.7 73.8 1.0 C1 C:7ZV501 4.7 64.9 1.0 C13 C:7ZV501 4.9 68.0 1.0 CE2 C:PHE399 4.9 67.6 1.0 CD2 C:PHE399 5.0 68.2 1.0 C12 C:7ZV501 5.0 67.3 1.0

Chlorine binding site 8 out of 12 in the Structure of THR354ASN, GLU355GLN, THR412ASN, ILE414MET, ILE464HIS, and PHE467MET Mutant Human Camkii Alpha Hub Bound to 5-Hdc


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Structure of THR354ASN, GLU355GLN, THR412ASN, ILE414MET, ILE464HIS, and PHE467MET Mutant Human Camkii Alpha Hub Bound to 5-Hdc within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl501 b:97.5 occ:1.00 CL C:7ZV501 0.0 97.5 1.0 C5 C:7ZV501 1.8 91.4 1.0 C4 C:7ZV501 2.7 85.4 1.0 C6 C:7ZV501 2.8 90.6 1.0 NH2 C:ARG433 2.8 75.9 1.0 N C:7ZV501 3.0 78.7 1.0 CZ C:ARG433 3.5 77.5 1.0 OG C:SER474 3.5 99.7 1.0 NH1 C:ARG433 3.8 81.0 1.0 O1 C:7ZV501 3.9 63.1 1.0 C3 C:7ZV501 3.9 72.2 1.0 NH2 C:ARG469 4.0 79.4 1.0 C9 C:7ZV501 4.0 86.3 1.0 C7 C:7ZV501 4.1 89.1 1.0 CZ C:ARG469 4.2 78.4 1.0 CG2 C:ILE361 4.2 73.5 1.0 OE1 C:GLU451 4.3 65.1 1.0 NE C:ARG433 4.3 75.6 1.0 C10 C:7ZV501 4.4 69.9 1.0 CB C:SER474 4.5 99.7 1.0 C8 C:7ZV501 4.6 87.4 1.0 NH1 C:ARG469 4.6 83.5 1.0 NE C:ARG469 4.6 72.8 1.0 C C:7ZV501 4.8 62.5 1.0 C2 C:7ZV501 4.9 68.4 1.0 CD C:ARG469 4.9 68.0 1.0

Chlorine binding site 9 out of 12 in the Structure of THR354ASN, GLU355GLN, THR412ASN, ILE414MET, ILE464HIS, and PHE467MET Mutant Human Camkii Alpha Hub Bound to 5-Hdc


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Structure of THR354ASN, GLU355GLN, THR412ASN, ILE414MET, ILE464HIS, and PHE467MET Mutant Human Camkii Alpha Hub Bound to 5-Hdc within 5.0Å range: probe atom residue distance (Å) B Occ E:Cl500 b:95.0 occ:1.00 CL1 E:7ZV500 0.0 95.0 1.0 C9 E:7ZV500 1.8 93.9 1.0 C4 E:7ZV500 2.8 90.8 1.0 C8 E:7ZV500 2.8 95.9 1.0 N E:7ZV500 3.0 82.0 1.0 C3 E:7ZV500 3.3 73.2 1.0 C10 E:7ZV500 3.5 69.1 1.0 CB E:TYR398 3.5 76.0 1.0 O E:TYR398 3.7 76.4 1.0 C E:TYR398 3.7 77.0 1.0 N E:PHE399 4.0 78.5 1.0 C5 E:7ZV500 4.0 95.7 1.0 C7 E:7ZV500 4.1 97.1 1.0 CD1 E:PHE399 4.1 77.3 1.0 CE1 E:PHE399 4.1 75.0 1.0 C2 E:7ZV500 4.2 70.7 1.0 CA E:TYR398 4.2 76.7 1.0 CG2 E:ILE361 4.3 74.3 1.0 CG E:PHE399 4.4 78.6 1.0 C11 E:7ZV500 4.4 67.7 1.0 CA E:PHE399 4.5 81.3 1.0 CZ E:PHE399 4.5 74.7 1.0 C6 E:7ZV500 4.6 96.3 1.0 CD2 E:PHE399 4.7 78.1 1.0 CE2 E:PHE399 4.8 76.1 1.0 O E:ILE361 4.8 86.3 1.0 CG E:TYR398 4.8 77.2 1.0 C1 E:7ZV500 4.8 68.5 1.0

Chlorine binding site 10 out of 12 in the Structure of THR354ASN, GLU355GLN, THR412ASN, ILE414MET, ILE464HIS, and PHE467MET Mutant Human Camkii Alpha Hub Bound to 5-Hdc


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Structure of THR354ASN, GLU355GLN, THR412ASN, ILE414MET, ILE464HIS, and PHE467MET Mutant Human Camkii Alpha Hub Bound to 5-Hdc within 5.0Å range: probe atom residue distance (Å) B Occ E:Cl500 b:102.1 occ:1.00 CL E:7ZV500 0.0 102.1 1.0 C5 E:7ZV500 1.8 95.7 1.0 NH2 E:ARG433 2.5 81.9 1.0 C4 E:7ZV500 2.7 90.8 1.0 C6 E:7ZV500 2.8 96.3 1.0 N E:7ZV500 3.0 82.0 1.0 CZ E:ARG433 3.2 80.2 1.0 NH1 E:ARG469 3.3 75.2 1.0 O1 E:7ZV500 3.4 66.8 1.0 NH1 E:ARG433 3.6 83.6 1.0 OE2 E:GLU451 3.6 61.9 1.0 C3 E:7ZV500 3.9 73.2 1.0 CZ E:ARG469 3.9 73.6 1.0 NE E:ARG433 4.0 77.1 1.0 C9 E:7ZV500 4.0 93.9 1.0 C7 E:7ZV500 4.1 97.1 1.0 CG2 E:ILE361 4.3 74.3 1.0 NE E:ARG469 4.4 68.3 1.0 C10 E:7ZV500 4.4 69.1 1.0 CD E:ARG469 4.4 64.3 1.0 C E:7ZV500 4.5 66.4 1.0 NH2 E:ARG453 4.5 54.1 1.0 NH2 E:ARG469 4.5 78.5 1.0 C8 E:7ZV500 4.6 95.9 1.0 C2 E:7ZV500 4.7 70.7 1.0 CD1 E:ILE361 4.7 71.2 1.0 CD E:GLU451 4.8 61.0 1.0 C1 E:7ZV500 4.9 68.5 1.0

U.Leurs, A.B.Klein, E.D.Mcspadden, N.Griem-Krey, S.M.O.Solbak, J.Houlton, I.S.Villumsen, S.B.Vogensen, L.Hamborg, S.J.Gauger, L.B.Palmelund, A.S.G.Larsen, M.A.Shehata, C.D.Kelstrup, J.V.Olsen, A.Bach, R.O.Burnie, D.S.Kerr, E.Gowing, S.M.W.Teurlings, C.C.Chi, C.Gee, B.Frolund, B.R.Kornum, G.M.Van Woerden, R.P.Clausen, J.Kuriyan, A.N.Clarkson, P.Wollendorph. Ghb Analogs Confer Neuroprotection Through Specific Interaction with the Camkiialpha Hub Domain Proc.Natl.Acad.Sci.Usa 2021.
ISSN: ESSN 1091-6490