Zinc in PDB 8se3: Structure of Full-Length Human Protein Kinase C Beta 1 (Pkcbi) in the Active Conformation

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

The structure of Structure of Full-Length Human Protein Kinase C Beta 1 (Pkcbi) in the Active Conformation, PDB code: 8se3 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)	48.66 / 2.60
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	82.198, 163.158, 77.319, 90, 100.41, 90
R / Rfree (%)	19.7 / 22.7

The binding sites of Zinc atom in the Structure of Full-Length Human Protein Kinase C Beta 1 (Pkcbi) in the Active Conformation (pdb code 8se3). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 4 binding sites of Zinc where determined in the Structure of Full-Length Human Protein Kinase C Beta 1 (Pkcbi) in the Active Conformation, PDB code: 8se3:
Jump to Zinc binding site number: 1; 2; 3; 4;

Zinc binding site 1 out of 4 in the Structure of Full-Length Human Protein Kinase C Beta 1 (Pkcbi) in the Active Conformation


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 Conformation within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn705 b:58.2 occ:1.00 ND1 A:HIS102 2.0 84.6 1.0 SG A:CYS132 2.3 62.8 1.0 SG A:CYS151 2.4 67.8 1.0 SG A:CYS135 2.4 74.8 1.0 CE1 A:HIS102 2.9 73.9 1.0 CG A:HIS102 3.1 65.5 1.0 CB A:CYS151 3.3 63.0 1.0 CB A:CYS132 3.4 63.8 1.0 CB A:CYS135 3.5 74.4 1.0 CB A:HIS102 3.5 72.4 1.0 CA A:CYS151 3.9 62.9 1.0 CA A:HIS102 3.9 79.0 1.0 N A:CYS135 3.9 74.5 1.0 NE2 A:HIS102 4.0 73.3 1.0 CD2 A:HIS102 4.1 76.2 1.0 CA A:CYS135 4.4 75.7 1.0 CB A:THR134 4.6 79.4 1.0 N A:LYS103 4.6 77.0 1.0 C A:CYS151 4.6 68.9 1.0 N A:GLY152 4.6 66.5 1.0 C A:HIS102 4.8 80.5 1.0 CA A:CYS132 4.8 67.5 1.0 C A:THR134 5.0 75.3 1.0

Zinc binding site 2 out of 4 in the Structure of Full-Length Human Protein Kinase C Beta 1 (Pkcbi) in the Active Conformation


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 Conformation within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn706 b:52.8 occ:1.00 ND1 A:HIS140 2.0 68.2 1.0 SG A:CYS115 2.3 55.9 1.0 SG A:CYS143 2.3 60.0 1.0 SG A:CYS118 2.4 51.1 1.0 CE1 A:HIS140 3.0 63.9 1.0 CG A:HIS140 3.1 65.3 1.0 CB A:CYS115 3.1 49.7 1.0 CB A:HIS140 3.4 63.3 1.0 CB A:CYS143 3.4 62.8 1.0 CB A:CYS118 3.4 45.3 1.0 N A:CYS118 3.8 49.8 1.0 N A:HIS140 3.9 57.7 1.0 NE2 A:HIS140 4.1 62.8 1.0 CA A:CYS118 4.1 45.4 1.0 CD2 A:HIS140 4.2 65.3 1.0 CA A:HIS140 4.3 62.3 1.0 NH1 A:ARG142 4.3 102.1 1.0 CA A:CYS115 4.6 51.1 1.0 CZ A:ARG142 4.6 102.0 1.0 CB A:HIS117 4.7 48.0 1.0 CA A:CYS143 4.8 67.9 1.0 C A:CYS118 4.8 47.1 1.0 NH2 A:ARG142 4.8 100.5 1.0 C A:HIS117 4.9 54.5 1.0 C A:VAL139 5.0 57.7 1.0

Zinc binding site 3 out of 4 in the Structure of Full-Length Human Protein Kinase C Beta 1 (Pkcbi) in the Active Conformation


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 Conformation within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn707 b:66.0 occ:1.00 ND1 A:HIS37 2.0 90.5 1.0 SG A:CYS70 2.2 50.4 1.0 SG A:CYS67 2.3 67.5 1.0 SG A:CYS86 2.3 91.7 1.0 CE1 A:HIS37 2.7 88.3 1.0 CG A:HIS37 3.2 85.2 1.0 CB A:CYS86 3.2 84.0 1.0 CB A:CYS67 3.3 63.6 1.0 CB A:CYS70 3.3 56.3 1.0 N A:CYS70 3.7 63.4 1.0 CB A:HIS37 3.8 77.8 1.0 NE2 A:HIS37 3.8 87.1 1.0 CA A:CYS86 3.9 77.1 1.0 CA A:HIS37 3.9 80.5 1.0 CA A:CYS70 4.1 59.3 1.0 CD2 A:HIS37 4.1 87.6 1.0 CB A:VAL69 4.4 82.5 1.0 CD A:PRO87 4.6 63.6 1.0 CA A:CYS67 4.7 61.5 1.0 C A:VAL69 4.7 74.8 1.0 N A:LYS38 4.8 75.1 1.0 O A:ASN36 4.8 89.8 1.0 C A:CYS70 4.8 61.3 1.0 C A:CYS86 4.8 73.0 1.0 CB A:PHE72 4.8 49.8 1.0 N A:HIS37 4.8 84.2 1.0 C A:HIS37 4.9 78.2 1.0 N A:CYS86 4.9 78.7 1.0 CA A:VAL69 4.9 77.6 1.0 N A:VAL69 5.0 75.4 1.0

Zinc binding site 4 out of 4 in the Structure of Full-Length Human Protein Kinase C Beta 1 (Pkcbi) in the Active Conformation


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 Conformation within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn708 b:55.1 occ:1.00 ND1 A:HIS75 2.1 58.9 1.0 SG A:CYS53 2.2 44.2 1.0 SG A:CYS78 2.3 57.1 1.0 SG A:CYS50 2.3 46.5 1.0 CG A:HIS75 3.0 53.8 1.0 CB A:CYS50 3.0 41.8 1.0 CE1 A:HIS75 3.1 57.3 1.0 CB A:HIS75 3.2 50.2 1.0 CB A:CYS78 3.2 50.0 1.0 CB A:CYS53 3.4 43.4 1.0 N A:HIS75 3.9 56.9 1.0 N A:CYS53 3.9 48.4 1.0 CD2 A:HIS75 4.1 56.9 1.0 CA A:HIS75 4.1 51.4 1.0 NE2 A:HIS75 4.2 55.4 1.0 CA A:CYS53 4.2 45.4 1.0 CA A:CYS50 4.5 41.1 1.0 CA A:CYS78 4.6 53.6 1.0 CB A:HIS52 4.7 50.8 1.0 NE A:ARG77 4.8 51.3 1.0 N A:CYS78 4.8 62.4 1.0 C A:HIS52 4.9 55.1 1.0 C A:CYS53 5.0 50.6 1.0

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.