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Zinc in PDB 8se2: Structure of Full-Length Human Protein Kinase C Beta 1 (Pkcbi) in the Active and Inactive Conformation Soaked in Manganese Chloride

Enzymatic activity of Structure of Full-Length Human Protein Kinase C Beta 1 (Pkcbi) in the Active and Inactive Conformation Soaked in Manganese Chloride

All present enzymatic activity of Structure of Full-Length Human Protein Kinase C Beta 1 (Pkcbi) in the Active and Inactive Conformation Soaked in Manganese Chloride:
2.7.11.13;

Protein crystallography data

The structure of Structure of Full-Length Human Protein Kinase C Beta 1 (Pkcbi) in the Active and Inactive Conformation Soaked in Manganese Chloride, PDB code: 8se2 was solved by A.T.Q.Cong, T.L.Witter, E.S.Bruinsma, S.Jayaraman, J.R.Hawse, M.P.Goetz, M.J.Schellenberg, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 49.70 / 2.95
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 162.745, 157.927, 85.144, 90, 112.23, 90
R / Rfree (%) 19.4 / 25.2

Other elements in 8se2:

The structure of Structure of Full-Length Human Protein Kinase C Beta 1 (Pkcbi) in the Active and Inactive Conformation Soaked in Manganese Chloride also contains other interesting chemical elements:

Calcium (Ca) 1 atom
Manganese (Mn) 2 atoms

Zinc Binding Sites:

The binding sites of Zinc atom in the Structure of Full-Length Human Protein Kinase C Beta 1 (Pkcbi) in the Active and Inactive Conformation Soaked in Manganese Chloride (pdb code 8se2). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 8 binding sites of Zinc where determined in the Structure of Full-Length Human Protein Kinase C Beta 1 (Pkcbi) in the Active and Inactive Conformation Soaked in Manganese Chloride, PDB code: 8se2:
Jump to Zinc binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Zinc binding site 1 out of 8 in 8se2

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Zinc binding site 1 out of 8 in the Structure of Full-Length Human Protein Kinase C Beta 1 (Pkcbi) in the Active and Inactive Conformation Soaked in Manganese Chloride


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Structure of Full-Length Human Protein Kinase C Beta 1 (Pkcbi) in the Active and Inactive Conformation Soaked in Manganese Chloride within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn702

b:131.9
occ:1.00
 ND1 A:HIS37 2.0 148.4 1.0
SG A:CYS70 2.3 100.0 1.0
SG A:CYS86 2.3 174.9 1.0
SG A:CYS67 2.3 101.8 1.0
CE1 A:HIS37 2.6 141.2 1.0
CB A:CYS86 2.8 166.6 1.0
CG A:HIS37 3.1 137.4 1.0
CB A:CYS67 3.3 90.0 1.0
CB A:CYS70 3.4 123.8 1.0
NE2 A:HIS37 3.6 145.4 1.0
CB A:HIS37 3.7 126.7 1.0
CA A:CYS86 3.8 158.3 1.0
CA A:HIS37 3.9 118.5 1.0
CD2 A:HIS37 3.9 146.6 1.0
N A:CYS70 4.0 132.2 1.0
CA A:CYS70 4.3 132.9 1.0
CB A:VAL69 4.6 119.1 1.0
N A:LYS38 4.7 110.5 1.0
CA A:CYS67 4.7 92.1 1.0
N A:HIS37 4.8 124.1 1.0
O A:ASN36 4.8 129.4 1.0
C A:CYS86 4.8 157.5 1.0
N A:CYS86 4.8 148.1 1.0
C A:HIS37 4.9 121.0 1.0
C A:VAL69 4.9 127.7 1.0
CD A:PRO87 5.0 136.3 1.0

Zinc binding site 2 out of 8 in 8se2

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Zinc binding site 2 out of 8 in the Structure of Full-Length Human Protein Kinase C Beta 1 (Pkcbi) in the Active and Inactive Conformation Soaked in Manganese Chloride


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Structure of Full-Length Human Protein Kinase C Beta 1 (Pkcbi) in the Active and Inactive Conformation Soaked in Manganese Chloride within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn703

b:98.8
occ:1.00
 ND1 A:HIS75 2.1 104.0 1.0
SG A:CYS53 2.2 110.2 1.0
SG A:CYS78 2.2 137.3 1.0
SG A:CYS50 2.4 94.0 1.0
CE1 A:HIS75 2.9 93.0 1.0
CB A:CYS53 3.1 114.3 1.0
CG A:HIS75 3.2 88.6 1.0
CB A:CYS50 3.2 87.3 1.0
CB A:CYS78 3.3 119.7 1.0
CB A:HIS75 3.6 92.5 1.0
N A:CYS53 3.7 108.3 1.0
CA A:CYS53 4.0 108.7 1.0
N A:HIS75 4.1 94.8 1.0
NE2 A:HIS75 4.1 90.4 1.0
CD2 A:HIS75 4.2 89.8 1.0
CA A:HIS75 4.5 80.1 1.0
CB A:HIS52 4.5 89.5 1.0
NE A:ARG77 4.6 85.1 1.0
CD2 A:HIS52 4.6 108.7 1.0
CA A:CYS50 4.7 90.5 1.0
CA A:CYS78 4.7 121.5 1.0
C A:HIS52 4.7 109.9 1.0
NH2 A:ARG77 4.8 100.1 1.0
C A:CYS53 4.9 109.0 1.0
CG A:ARG77 4.9 93.4 1.0
N A:CYS78 4.9 112.9 1.0
CZ A:ARG77 5.0 90.7 1.0
CG A:HIS52 5.0 101.8 1.0

Zinc binding site 3 out of 8 in 8se2

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Zinc binding site 3 out of 8 in the Structure of Full-Length Human Protein Kinase C Beta 1 (Pkcbi) in the Active and Inactive Conformation Soaked in Manganese Chloride


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Structure of Full-Length Human Protein Kinase C Beta 1 (Pkcbi) in the Active and Inactive Conformation Soaked in Manganese Chloride within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn704

b:134.3
occ:1.00
 ND1 A:HIS102 2.0 181.4 1.0
OG1 A:THR134 2.1 236.4 1.0
SG A:CYS132 2.3 140.3 1.0
SG A:CYS151 2.3 185.3 1.0
SG A:CYS135 2.5 123.3 1.0
CE1 A:HIS102 2.6 170.5 1.0
CG A:HIS102 3.2 168.7 1.0
CB A:THR134 3.2 208.8 1.0
N A:CYS135 3.3 160.5 1.0
CB A:CYS132 3.6 137.2 1.0
CB A:CYS135 3.7 126.5 1.0
CB A:CYS151 3.8 163.5 1.0
NE2 A:HIS102 3.8 170.0 1.0
CB A:HIS102 3.8 154.0 1.0
CA A:THR134 4.0 186.4 1.0
CA A:CYS135 4.0 141.8 1.0
N A:THR134 4.0 170.7 1.0
CA A:HIS102 4.1 141.4 1.0
CD2 A:HIS102 4.1 170.1 1.0
C A:THR134 4.1 174.8 1.0
CA A:CYS151 4.4 152.6 1.0
N A:GLY152 4.4 143.5 1.0
CG2 A:THR134 4.4 207.4 1.0
N A:LYS103 4.8 131.7 1.0
C A:CYS135 4.8 142.2 1.0
C A:CYS151 4.9 149.0 1.0
CA A:CYS132 4.9 140.9 1.0
N A:MET136 4.9 140.3 1.0

Zinc binding site 4 out of 8 in 8se2

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Zinc binding site 4 out of 8 in the Structure of Full-Length Human Protein Kinase C Beta 1 (Pkcbi) in the Active and Inactive Conformation Soaked in Manganese Chloride


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Structure of Full-Length Human Protein Kinase C Beta 1 (Pkcbi) in the Active and Inactive Conformation Soaked in Manganese Chloride within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn705

b:105.1
occ:1.00
 ND1 A:HIS140 2.0 117.5 1.0
SG A:CYS118 2.2 95.6 1.0
SG A:CYS115 2.4 103.4 1.0
SG A:CYS143 2.5 109.7 1.0
CG A:HIS140 3.0 108.5 1.0
CE1 A:HIS140 3.0 103.8 1.0
CB A:CYS115 3.1 96.5 1.0
CB A:HIS140 3.3 99.2 1.0
CB A:CYS118 3.5 93.9 1.0
CB A:CYS143 3.6 102.9 1.0
N A:HIS140 3.7 82.3 1.0
N A:CYS118 4.0 105.5 1.0
CA A:HIS140 4.1 95.9 1.0
CD2 A:HIS140 4.1 111.2 1.0
NE2 A:HIS140 4.1 108.2 1.0
CA A:CYS118 4.3 96.3 1.0
CA A:CYS115 4.5 89.2 1.0
CB A:HIS117 4.8 87.3 1.0
C A:VAL139 4.8 88.0 1.0
CA A:CYS143 4.9 106.8 1.0
C A:CYS118 5.0 94.1 1.0
N A:CYS143 5.0 114.1 1.0

Zinc binding site 5 out of 8 in 8se2

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Zinc binding site 5 out of 8 in the Structure of Full-Length Human Protein Kinase C Beta 1 (Pkcbi) in the Active and Inactive Conformation Soaked in Manganese Chloride


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 5 of Structure of Full-Length Human Protein Kinase C Beta 1 (Pkcbi) in the Active and Inactive Conformation Soaked in Manganese Chloride within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn704

b:131.9
occ:1.00
 ND1 B:HIS37 2.1 128.5 1.0
SG B:CYS70 2.2 108.1 1.0
SG B:CYS67 2.3 135.6 1.0
SG B:CYS86 2.3 140.7 1.0
CE1 B:HIS37 2.7 125.0 1.0
CB B:CYS86 2.8 133.9 1.0
CG B:HIS37 3.1 129.1 1.0
CB B:CYS67 3.4 127.0 1.0
CB B:CYS70 3.6 120.4 1.0
NE2 B:HIS37 3.7 124.0 1.0
CB B:HIS37 3.8 127.2 1.0
CA B:CYS86 3.8 115.4 1.0
CA B:HIS37 3.8 134.0 1.0
CD2 B:HIS37 4.0 127.3 1.0
N B:CYS70 4.0 131.7 1.0
CA B:CYS70 4.4 122.7 1.0
O B:ASN36 4.6 138.3 1.0
N B:HIS37 4.7 135.6 1.0
CB B:VAL69 4.7 117.4 1.0
CA B:CYS67 4.8 126.6 1.0
N B:CYS86 4.8 114.1 1.0
N B:LYS38 4.8 142.9 1.0
C B:CYS86 4.8 116.8 1.0
CD B:PRO87 4.9 101.1 1.0
C B:HIS37 4.9 140.3 1.0
CB B:PHE72 4.9 112.8 1.0
C B:VAL69 5.0 135.0 1.0
C B:ASN36 5.0 136.6 1.0

Zinc binding site 6 out of 8 in 8se2

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Zinc binding site 6 out of 8 in the Structure of Full-Length Human Protein Kinase C Beta 1 (Pkcbi) in the Active and Inactive Conformation Soaked in Manganese Chloride


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 6 of Structure of Full-Length Human Protein Kinase C Beta 1 (Pkcbi) in the Active and Inactive Conformation Soaked in Manganese Chloride within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn705

b:91.7
occ:1.00
 ND1 B:HIS75 2.0 71.2 1.0
SG B:CYS50 2.2 89.5 1.0
SG B:CYS78 2.3 99.1 1.0
SG B:CYS53 2.3 78.8 1.0
CE1 B:HIS75 2.9 76.8 1.0
CG B:HIS75 3.1 80.3 1.0
CB B:CYS50 3.1 80.8 1.0
CB B:CYS78 3.2 104.5 1.0
CB B:CYS53 3.2 77.3 1.0
CB B:HIS75 3.5 95.8 1.0
N B:CYS53 3.6 85.0 1.0
N B:HIS75 3.9 86.2 1.0
NE2 B:HIS75 4.0 80.1 1.0
CA B:CYS53 4.0 79.3 1.0
CD2 B:HIS75 4.1 77.4 1.0
CA B:HIS75 4.3 94.2 1.0
CB B:HIS52 4.4 95.1 1.0
CA B:CYS50 4.6 82.2 1.0
C B:HIS52 4.6 93.5 1.0
CD2 B:HIS52 4.6 99.6 1.0
CA B:CYS78 4.6 105.0 1.0
N B:HIS52 4.9 122.8 1.0
CA B:HIS52 4.9 98.6 1.0
C B:CYS53 4.9 82.8 1.0
CG B:HIS52 4.9 97.5 1.0
N B:CYS78 5.0 94.5 1.0
NE B:ARG77 5.0 131.1 1.0
C B:VAL74 5.0 86.7 1.0

Zinc binding site 7 out of 8 in 8se2

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Zinc binding site 7 out of 8 in the Structure of Full-Length Human Protein Kinase C Beta 1 (Pkcbi) in the Active and Inactive Conformation Soaked in Manganese Chloride


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 7 of Structure of Full-Length Human Protein Kinase C Beta 1 (Pkcbi) in the Active and Inactive Conformation Soaked in Manganese Chloride within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn706

b:109.2
occ:1.00
 ND1 B:HIS102 2.0 93.7 1.0
SG B:CYS135 2.2 110.9 1.0
SG B:CYS151 2.3 96.3 1.0
SG B:CYS132 2.3 109.0 1.0
CE1 B:HIS102 2.8 87.6 1.0
CG B:HIS102 3.1 105.3 1.0
CB B:CYS132 3.3 102.7 1.0
CB B:CYS135 3.5 102.5 1.0
N B:CYS135 3.5 107.0 1.0
CB B:CYS151 3.6 98.7 1.0
CB B:HIS102 3.6 103.0 1.0
CA B:HIS102 4.0 104.0 1.0
NE2 B:HIS102 4.0 91.7 1.0
CA B:CYS135 4.1 101.8 1.0
CB B:THR134 4.1 129.3 1.0
CD2 B:HIS102 4.1 103.7 1.0
CA B:CYS151 4.2 99.9 1.0
N B:LYS103 4.6 104.8 1.0
C B:THR134 4.6 120.2 1.0
N B:GLY152 4.6 107.8 1.0
CE B:MET137 4.7 92.8 1.0
CA B:THR134 4.7 127.5 1.0
CA B:CYS132 4.7 107.5 1.0
N B:THR134 4.7 134.8 1.0
CG2 B:THR134 4.7 133.3 1.0
C B:CYS135 4.8 105.6 1.0
C B:HIS102 4.9 109.8 1.0
C B:CYS151 4.9 103.9 1.0

Zinc binding site 8 out of 8 in 8se2

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Zinc binding site 8 out of 8 in the Structure of Full-Length Human Protein Kinase C Beta 1 (Pkcbi) in the Active and Inactive Conformation Soaked in Manganese Chloride


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 8 of Structure of Full-Length Human Protein Kinase C Beta 1 (Pkcbi) in the Active and Inactive Conformation Soaked in Manganese Chloride within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn707

b:108.1
occ:1.00
 ND1 B:HIS140 2.0 106.0 1.0
SG B:CYS115 2.3 96.3 1.0
SG B:CYS118 2.4 88.0 1.0
SG B:CYS143 2.4 114.3 1.0
CG B:HIS140 3.0 111.8 1.0
CE1 B:HIS140 3.0 105.7 1.0
CB B:CYS143 3.2 114.0 1.0
CB B:HIS140 3.3 114.4 1.0
CB B:CYS115 3.4 105.0 1.0
CB B:CYS118 3.5 83.2 1.0
N B:CYS118 3.8 97.5 1.0
N B:HIS140 3.9 121.2 1.0
NE2 B:HIS140 4.1 108.0 1.0
CD2 B:HIS140 4.2 114.8 1.0
CA B:CYS118 4.2 94.4 1.0
CA B:HIS140 4.2 122.8 1.0
NH1 B:ARG142 4.4 120.3 1.0
CG1 B:VAL139 4.4 102.3 1.0
CB B:HIS117 4.6 94.5 1.0
CZ B:ARG142 4.6 126.8 1.0
CA B:CYS143 4.6 113.8 1.0
N B:CYS143 4.8 120.4 1.0
NH2 B:ARG142 4.8 119.5 1.0
CA B:CYS115 4.9 105.8 1.0
C B:HIS117 4.9 89.1 1.0
C B:CYS118 4.9 92.3 1.0

Reference:

A.T.Q.Cong, T.L.Witter, E.S.Bruinsma, S.S.Bhattacharya, S.Jayaraman, M.B.Dugan, J.Paluncic, M.J.Kuffel, J.Farmakes, J.Alvey, X.Wu, A.P.Fields, A.Pandey, J.R.Hawse, M.P.Goetz, M.J.Schellenberg. Molecular Basis of Allosteric Regulation and Pharmaceutical Targeting of Protein Kinase C B To Be Published.
Page generated: Tue Aug 26 21:59:00 2025

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