Manganese in PDB 7lv3: Crystal Structure of Human Protein Kinase G (Pkg) R-C Complex in Inhibited State

All present enzymatic activity of Crystal Structure of Human Protein Kinase G (Pkg) R-C Complex in Inhibited State:
2.7.11.12;

The structure of Crystal Structure of Human Protein Kinase G (Pkg) R-C Complex in Inhibited State, PDB code: 7lv3 was solved by R.Sharma, Q.Lying, D.Casteel, C.Kim, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.38 / 2.41
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	99.832, 112.824, 150.72, 90, 90, 90
R / Rfree (%)	20 / 23.8

The binding sites of Manganese atom in the Crystal Structure of Human Protein Kinase G (Pkg) R-C Complex in Inhibited State (pdb code 7lv3). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 4 binding sites of Manganese where determined in the Crystal Structure of Human Protein Kinase G (Pkg) R-C Complex in Inhibited State, PDB code: 7lv3:
Jump to Manganese binding site number: 1; 2; 3; 4;

Manganese binding site 1 out of 4 in the Crystal Structure of Human Protein Kinase G (Pkg) R-C Complex in Inhibited State


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Crystal Structure of Human Protein Kinase G (Pkg) R-C Complex in Inhibited State within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn801 b:66.0 occ:1.00 O A:HOH942 1.7 56.6 1.0 O1G A:ANP803 1.9 67.5 1.0 OD2 A:ASP517 2.1 90.3 1.0 OD1 A:ASP517 2.2 93.9 1.0 O1B A:ANP803 2.3 70.3 1.0 O A:HOH909 2.4 50.1 1.0 CG A:ASP517 2.4 87.5 1.0 PG A:ANP803 3.2 62.7 1.0 PB A:ANP803 3.4 59.4 1.0 O3G A:ANP803 3.6 60.5 1.0 N3B A:ANP803 3.7 65.4 1.0 MN A:MN802 3.8 64.8 1.0 OD2 A:ASP499 3.8 59.5 1.0 CB A:ASP517 3.9 68.9 1.0 O A:HOH927 4.2 62.5 1.0 NZ A:LYS405 4.3 50.9 1.0 O2G A:ANP803 4.4 60.6 1.0 CD1 A:PHE386 4.4 97.4 1.0 O2B A:ANP803 4.5 60.7 1.0 O3A A:ANP803 4.6 63.3 1.0 N A:GLY519 4.6 56.7 1.0 CA A:GLY519 4.6 58.2 1.0 O2A A:ANP803 4.7 68.0 1.0 CE1 A:PHE386 4.7 93.5 1.0 CA A:ASP517 4.8 63.8 1.0 PA A:ANP803 4.8 63.2 1.0 CB B:ALA78 4.9 67.8 1.0 C A:ASP517 5.0 59.9 1.0

Manganese binding site 2 out of 4 in the Crystal Structure of Human Protein Kinase G (Pkg) R-C Complex in Inhibited State


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Crystal Structure of Human Protein Kinase G (Pkg) R-C Complex in Inhibited State within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn802 b:64.8 occ:1.00 OD2 A:ASP517 2.2 90.3 1.0 O3G A:ANP803 2.2 60.5 1.0 O2A A:ANP803 2.2 68.0 1.0 O A:HOH943 2.3 55.3 1.0 OD1 A:ASN504 2.3 56.3 1.0 N3B A:ANP803 2.6 65.4 1.0 PG A:ANP803 2.9 62.7 1.0 CG A:ASP517 3.2 87.5 1.0 CG A:ASN504 3.3 55.2 1.0 PA A:ANP803 3.4 63.2 1.0 O1G A:ANP803 3.5 67.5 1.0 CB A:ASP517 3.6 68.9 1.0 ND2 A:ASN504 3.6 51.2 1.0 PB A:ANP803 3.7 59.4 1.0 O1B A:ANP803 3.8 70.3 1.0 MN A:MN801 3.8 66.0 1.0 O3A A:ANP803 3.9 63.3 1.0 CE A:LYS501 4.1 48.8 1.0 NZ A:LYS501 4.2 46.1 1.0 OD1 A:ASP517 4.2 93.9 1.0 O2G A:ANP803 4.3 60.6 1.0 O3' A:ANP803 4.3 59.6 1.0 OD2 A:ASP499 4.3 59.5 1.0 O B:HOH956 4.4 67.3 1.0 O1A A:ANP803 4.4 63.3 1.0 O5' A:ANP803 4.6 62.2 1.0 CB A:ASN504 4.7 55.2 1.0 C5' A:ANP803 4.7 58.4 1.0 O A:GLU503 4.7 57.8 1.0 C3' A:ANP803 4.9 63.2 1.0 CA A:ASN504 5.0 53.7 1.0

Manganese binding site 3 out of 4 in the Crystal Structure of Human Protein Kinase G (Pkg) R-C Complex in Inhibited State


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 3 of Crystal Structure of Human Protein Kinase G (Pkg) R-C Complex in Inhibited State within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn801 b:81.2 occ:1.00 OD1 B:ASP517 2.1 110.7 1.0 O1B B:ANP803 2.2 93.3 1.0 O3G B:ANP803 2.3 102.8 1.0 OD2 B:ASP517 2.4 106.8 1.0 O B:HOH903 2.4 74.5 1.0 CG B:ASP517 2.6 97.8 1.0 PG B:ANP803 3.4 90.8 1.0 PB B:ANP803 3.4 92.9 1.0 O2G B:ANP803 3.8 93.6 1.0 OD2 B:ASP499 3.9 66.6 1.0 N3B B:ANP803 3.9 92.5 1.0 O B:HOH939 4.0 70.3 1.0 CB B:ASP517 4.0 82.9 1.0 MN B:MN802 4.1 74.4 1.0 N B:GLY519 4.3 70.8 1.0 CA B:GLY519 4.3 72.8 1.0 O2B B:ANP803 4.4 89.4 1.0 NZ B:LYS405 4.5 76.8 1.0 O3A B:ANP803 4.7 89.7 1.0 O1G B:ANP803 4.7 92.3 1.0 CA B:ASP517 4.8 76.4 1.0 O2A B:ANP803 4.9 88.4 1.0 C B:ASP517 4.9 70.9 1.0 PA B:ANP803 5.0 83.0 1.0 CB A:ALA78 5.0 69.6 1.0

Manganese binding site 4 out of 4 in the Crystal Structure of Human Protein Kinase G (Pkg) R-C Complex in Inhibited State


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 4 of Crystal Structure of Human Protein Kinase G (Pkg) R-C Complex in Inhibited State within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn802 b:74.4 occ:1.00 OD1 B:ASN504 2.1 92.6 1.0 OD2 B:ASP517 2.2 106.8 1.0 O2A B:ANP803 2.3 88.4 1.0 O2G B:ANP803 2.4 93.6 1.0 N3B B:ANP803 2.9 92.5 1.0 CG B:ASN504 3.1 67.4 1.0 CG B:ASP517 3.1 97.8 1.0 PG B:ANP803 3.1 90.8 1.0 ND2 B:ASN504 3.5 57.1 1.0 CB B:ASP517 3.5 82.9 1.0 PA B:ANP803 3.5 83.0 1.0 O1B B:ANP803 3.7 93.3 1.0 PB B:ANP803 3.8 92.9 1.0 O3A B:ANP803 4.0 89.7 1.0 O3G B:ANP803 4.0 102.8 1.0 MN B:MN801 4.1 81.2 1.0 OD1 B:ASP517 4.2 110.7 1.0 CE B:LYS501 4.2 57.5 1.0 O3' B:ANP803 4.3 75.1 1.0 O1G B:ANP803 4.4 92.3 1.0 NZ B:LYS501 4.4 59.4 1.0 CB B:ASN504 4.4 63.9 1.0 O B:GLU503 4.5 61.5 1.0 OD2 B:ASP499 4.5 66.6 1.0 O1A B:ANP803 4.5 83.0 1.0 O5' B:ANP803 4.7 80.7 1.0 CA B:ASN504 4.7 64.1 1.0 C B:GLU503 4.8 59.6 1.0 C5' B:ANP803 4.8 79.2 1.0 C3' B:ANP803 4.9 79.1 1.0 CA B:ASP517 5.0 76.4 1.0 N B:ASN504 5.0 63.1 1.0

R.Sharma, J.J.Kim, L.Qin, P.Henning, M.Akimoto, B.Vanschouwen, G.Kaur, B.Sankaran, K.R.Mackenzie, G.Melacini, D.E.Casteel, F.W.Herberg, C.W.Kim. An Auto-Inhibited State of Protein Kinase G and Implications For Selective Activation. Elife V. 11 2022.
ISSN: ESSN 2050-084X
PubMed: 35929723
DOI: 10.7554/ELIFE.79530