Manganese in PDB 1mjh: Structure-Based Assignment of the Biochemical Function of Hypothetical Protein MJ0577: A Test Case of Structural Genomics

The structure of Structure-Based Assignment of the Biochemical Function of Hypothetical Protein MJ0577: A Test Case of Structural Genomics, PDB code: 1mjh was solved by T.I.Zarembinski, L.-W.Hung, H.J.Mueller-Dieckmann, K.-K.Kim, H.Yokota, R.Kim, S.-H.Kim, Berkeley Structural Genomics Center(Bsgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 1.70
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	95.530, 96.080, 37.500, 90.00, 90.00, 90.00
R / Rfree (%)	21 / 25.4

The binding sites of Manganese atom in the Structure-Based Assignment of the Biochemical Function of Hypothetical Protein MJ0577: A Test Case of Structural Genomics (pdb code 1mjh). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the Structure-Based Assignment of the Biochemical Function of Hypothetical Protein MJ0577: A Test Case of Structural Genomics, PDB code: 1mjh:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the Structure-Based Assignment of the Biochemical Function of Hypothetical Protein MJ0577: A Test Case of Structural Genomics


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Structure-Based Assignment of the Biochemical Function of Hypothetical Protein MJ0577: A Test Case of Structural Genomics within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn4001 b:23.6 occ:1.00 O2A A:ATP2001 2.3 22.4 1.0 O A:HOH4019 2.3 21.1 1.0 O2B A:ATP2001 2.3 19.6 1.0 O2G A:ATP2001 2.3 23.6 1.0 O A:HOH4010 2.4 22.3 1.0 O A:HOH4009 2.4 23.8 1.0 PB A:ATP2001 3.3 21.5 1.0 PA A:ATP2001 3.5 21.0 1.0 PG A:ATP2001 3.5 21.9 1.0 O3A A:ATP2001 3.6 21.2 1.0 O3B A:ATP2001 3.7 23.7 1.0 O A:HOH4083 4.1 35.5 1.0 O3G A:ATP2001 4.1 24.8 1.0 OG1 A:THR132 4.2 23.6 1.0 N A:LYS131 4.2 23.3 1.0 O A:HOH4038 4.3 26.3 1.0 O5' A:ATP2001 4.3 20.2 1.0 N7 A:ATP2001 4.4 19.9 1.0 C8 A:ATP2001 4.4 22.0 1.0 CG2 A:VAL142 4.4 20.1 1.0 OD2 A:ASP13 4.4 23.3 1.0 O1A A:ATP2001 4.5 21.9 1.0 O A:HOH4072 4.5 37.0 1.0 O1G A:ATP2001 4.6 20.9 1.0 N A:THR132 4.6 22.7 1.0 O1B A:ATP2001 4.6 22.1 1.0 CA A:GLY130 4.7 18.1 1.0 O A:HOH4034 4.7 41.8 1.0 C A:GLY130 4.9 22.7 1.0 CB A:LYS131 5.0 21.2 1.0

Manganese binding site 2 out of 2 in the Structure-Based Assignment of the Biochemical Function of Hypothetical Protein MJ0577: A Test Case of Structural Genomics


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Structure-Based Assignment of the Biochemical Function of Hypothetical Protein MJ0577: A Test Case of Structural Genomics within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn4002 b:22.5 occ:1.00 O2A B:ATP3001 2.3 20.2 1.0 O2B B:ATP3001 2.3 18.3 1.0 O B:HOH8 2.4 21.3 1.0 O B:HOH15 2.4 23.6 1.0 O2G B:ATP3001 2.4 22.9 1.0 O B:HOH28 2.4 22.1 1.0 PB B:ATP3001 3.3 19.9 1.0 PA B:ATP3001 3.4 20.6 1.0 PG B:ATP3001 3.4 20.9 1.0 O3A B:ATP3001 3.6 20.1 1.0 O3B B:ATP3001 3.6 23.1 1.0 O B:HOH133 4.1 32.0 1.0 N B:LYS1131 4.2 21.6 1.0 O3G B:ATP3001 4.2 24.0 1.0 OG1 B:THR1132 4.2 24.3 1.0 O5' B:ATP3001 4.3 18.7 1.0 N7 B:ATP3001 4.4 22.1 1.0 C8 B:ATP3001 4.4 17.8 1.0 O B:HOH40 4.4 27.4 1.0 OD2 B:ASP1013 4.4 21.5 1.0 O1A B:ATP3001 4.5 19.1 1.0 CG2 B:VAL1142 4.5 20.7 1.0 O B:HOH95 4.5 32.5 1.0 N B:THR1132 4.6 20.6 1.0 O1G B:ATP3001 4.6 21.1 1.0 O1B B:ATP3001 4.6 20.6 1.0 CA B:GLY1130 4.7 18.2 1.0 C B:GLY1130 4.8 19.9 1.0 O B:HOH58 5.0 33.8 1.0

T.I.Zarembinski, L.-W.Hung, H.J.Mueller-Dieckmann, K.-K.Kim, H.Yokota, R.Kim, S.-H.Kim. Structure-Based Assignment of the Biochemical Function of A Hypothetical Protein: A Test Case of Structural Genomics. Proc.Natl.Acad.Sci.Usa V. 95 15189 1998.
ISSN: ISSN 0027-8424
PubMed: 9860944
DOI: 10.1073/PNAS.95.26.15189