Manganese in PDB 3idu: Crystal Structure of the Cardb Domain of the PF1109 Protein in Complex with Di-Metal Ions From Pyrococcus Furiosus, Northeast Structural Genomics Consortium Target PFR193A

The structure of Crystal Structure of the Cardb Domain of the PF1109 Protein in Complex with Di-Metal Ions From Pyrococcus Furiosus, Northeast Structural Genomics Consortium Target PFR193A, PDB code: 3idu was solved by F.Forouhar, H.Neely, J.Seetharaman, M.Mao, R.Xiao, C.Ciccosanti, D.Lee, J.K.Everett, R.Nair, T.B.Acton, B.Rost, G.T.Montelione, J.F.Hunt, L.Tong, Northeast Structural Genomics Consortium (Nesg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.49 / 1.70
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	24.551, 72.665, 58.456, 90.00, 93.44, 90.00
R / Rfree (%)	19 / 21.2

The binding sites of Manganese atom in the Crystal Structure of the Cardb Domain of the PF1109 Protein in Complex with Di-Metal Ions From Pyrococcus Furiosus, Northeast Structural Genomics Consortium Target PFR193A (pdb code 3idu). 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 the Cardb Domain of the PF1109 Protein in Complex with Di-Metal Ions From Pyrococcus Furiosus, Northeast Structural Genomics Consortium Target PFR193A, PDB code: 3idu:
Jump to Manganese binding site number: 1; 2; 3; 4;

Manganese binding site 1 out of 4 in the Crystal Structure of the Cardb Domain of the PF1109 Protein in Complex with Di-Metal Ions From Pyrococcus Furiosus, Northeast Structural Genomics Consortium Target PFR193A


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 the Cardb Domain of the PF1109 Protein in Complex with Di-Metal Ions From Pyrococcus Furiosus, Northeast Structural Genomics Consortium Target PFR193A within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn601 b:9.8 occ:1.00 OD1 A:ASN530 2.2 10.8 1.0 OD1 A:ASN531 2.2 11.9 1.0 O A:LEU440 2.2 8.3 1.0 O A:ASN527 2.2 9.4 1.0 OE1 A:GLU525 2.2 11.0 1.0 OD1 A:ASP439 2.3 12.5 1.0 CG A:ASN531 3.2 10.9 1.0 CG A:ASN530 3.2 13.9 1.0 C A:LEU440 3.3 12.0 1.0 C A:ASN527 3.4 10.6 1.0 CD A:GLU525 3.4 9.4 1.0 N A:LEU440 3.5 7.6 1.0 CG A:ASP439 3.6 11.7 1.0 ND2 A:ASN531 3.7 8.4 1.0 ND2 A:ASN530 3.7 10.2 1.0 CA A:LEU440 3.9 7.4 1.0 C A:ASP439 4.1 6.8 1.0 OE2 A:GLU525 4.1 9.9 1.0 OD2 A:ASP439 4.3 17.4 1.0 C A:ASN530 4.3 11.4 1.0 N A:GLU528 4.3 10.6 1.0 CA A:ASN527 4.3 7.2 1.0 CB A:GLU525 4.3 9.8 1.0 CA A:GLU528 4.3 14.0 1.0 CB A:ASN527 4.4 10.3 1.0 CA A:ASP439 4.4 6.8 1.0 CB A:LEU440 4.4 7.8 1.0 N A:ASN531 4.4 9.1 1.0 CG A:GLU525 4.4 12.8 1.0 N A:THR441 4.5 8.4 1.0 O A:ASN530 4.5 9.4 1.0 N A:ASN530 4.5 11.7 1.0 CB A:ASN531 4.5 10.0 1.0 CB A:ASN530 4.5 15.5 1.0 N A:ASN527 4.5 8.2 1.0 CB A:ASP439 4.6 9.6 1.0 CA A:ASN531 4.7 8.9 1.0 CA A:ASN530 4.7 13.1 1.0 C A:GLU528 4.8 16.7 1.0 CA A:THR441 4.8 9.0 1.0 O A:ASP439 4.8 7.1 1.0 CG A:ASN527 5.0 14.0 1.0

Manganese binding site 2 out of 4 in the Crystal Structure of the Cardb Domain of the PF1109 Protein in Complex with Di-Metal Ions From Pyrococcus Furiosus, Northeast Structural Genomics Consortium Target PFR193A


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 the Cardb Domain of the PF1109 Protein in Complex with Di-Metal Ions From Pyrococcus Furiosus, Northeast Structural Genomics Consortium Target PFR193A within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn602 b:12.9 occ:1.00 OE2 A:GLU525 2.2 9.9 1.0 OD2 A:ASP518 2.3 11.7 1.0 OE2 A:GLU528 2.3 18.6 1.0 O A:HOH33 2.3 14.7 1.0 O A:VAL523 2.3 10.9 1.0 OD1 A:ASN521 2.5 15.6 1.0 CD A:GLU525 3.2 9.4 1.0 CD A:GLU528 3.3 24.5 1.0 CG A:ASP518 3.4 13.5 1.0 C A:VAL523 3.5 8.0 1.0 CG A:ASN521 3.7 27.7 1.0 CG A:GLU525 3.7 12.8 1.0 OE1 A:GLU528 3.7 22.9 1.0 CB A:ASP518 4.0 17.0 1.0 N A:VAL523 4.0 13.1 1.0 CA A:ASN521 4.0 17.5 1.0 CA A:VAL523 4.1 10.8 1.0 CB A:VAL523 4.1 11.6 1.0 ND2 A:ASN531 4.1 8.4 1.0 OE1 A:GLU525 4.2 11.0 1.0 CB A:ASN521 4.3 24.5 1.0 O A:ASP518 4.4 10.3 1.0 OD1 A:ASP518 4.4 12.9 1.0 C A:ASN521 4.5 16.6 1.0 N A:VAL524 4.6 10.7 1.0 CG A:GLU528 4.6 16.0 1.0 CB A:GLU525 4.6 9.8 1.0 N A:GLU525 4.6 11.0 1.0 N A:THR522 4.7 14.2 1.0 ND2 A:ASN521 4.7 37.1 1.0 O A:HOH27 4.8 18.7 1.0 CB A:GLU528 4.9 11.0 1.0 CA A:VAL524 4.9 12.1 1.0 CG1 A:VAL523 4.9 13.5 1.0

Manganese binding site 3 out of 4 in the Crystal Structure of the Cardb Domain of the PF1109 Protein in Complex with Di-Metal Ions From Pyrococcus Furiosus, Northeast Structural Genomics Consortium Target PFR193A


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 the Cardb Domain of the PF1109 Protein in Complex with Di-Metal Ions From Pyrococcus Furiosus, Northeast Structural Genomics Consortium Target PFR193A within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn601 b:13.2 occ:1.00 O B:LEU440 2.2 9.6 1.0 O B:ASN527 2.2 13.2 1.0 OD1 B:ASN531 2.2 13.5 1.0 OD1 B:ASN530 2.2 13.9 1.0 OE1 B:GLU525 2.3 8.1 1.0 OD1 B:ASP439 2.4 20.6 1.0 CG B:ASN531 3.2 13.2 1.0 CG B:ASN530 3.3 14.8 1.0 C B:LEU440 3.3 11.5 1.0 C B:ASN527 3.4 17.2 1.0 N B:LEU440 3.4 11.1 1.0 CD B:GLU525 3.5 7.1 1.0 CG B:ASP439 3.6 25.6 1.0 ND2 B:ASN531 3.7 11.0 1.0 ND2 B:ASN530 3.7 12.7 1.0 CA B:LEU440 3.9 7.3 1.0 C B:ASP439 4.0 10.8 1.0 OE2 B:GLU525 4.2 12.6 1.0 OD2 B:ASP439 4.3 22.8 1.0 CB B:GLU525 4.3 18.6 1.0 CA B:GLU528 4.3 12.1 1.0 N B:GLU528 4.3 16.4 1.0 CB B:ASN527 4.3 17.3 1.0 C B:ASN530 4.3 7.6 1.0 CA B:ASP439 4.3 10.7 1.0 CA B:ASN527 4.4 12.3 1.0 N B:ASN530 4.4 12.5 1.0 CB B:LEU440 4.4 9.5 1.0 CG B:GLU525 4.4 11.4 1.0 N B:THR441 4.4 10.8 1.0 N B:ASN531 4.5 9.9 1.0 O B:ASN530 4.5 12.3 1.0 CB B:ASN530 4.5 15.4 1.0 CB B:ASN531 4.5 7.9 1.0 CB B:ASP439 4.6 11.7 1.0 C B:GLU528 4.6 12.0 1.0 N B:ASN527 4.6 15.3 1.0 CA B:ASN530 4.7 10.7 1.0 CA B:ASN531 4.8 12.2 1.0 CA B:THR441 4.8 15.2 1.0 O B:ASP439 4.8 11.0 1.0 N B:ASN529 4.8 12.0 1.0 CG B:ASN527 4.9 15.4 1.0 OD1 B:ASN527 5.0 16.8 1.0

Manganese binding site 4 out of 4 in the Crystal Structure of the Cardb Domain of the PF1109 Protein in Complex with Di-Metal Ions From Pyrococcus Furiosus, Northeast Structural Genomics Consortium Target PFR193A


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 the Cardb Domain of the PF1109 Protein in Complex with Di-Metal Ions From Pyrococcus Furiosus, Northeast Structural Genomics Consortium Target PFR193A within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn602 b:12.4 occ:1.00 OE2 B:GLU525 2.2 12.6 1.0 OD2 B:ASP518 2.2 13.1 1.0 O B:HOH91 2.2 13.5 1.0 OE2 B:GLU528 2.3 21.2 1.0 O B:VAL523 2.4 11.6 1.0 OD1 B:ASN521 2.4 20.6 1.0 CD B:GLU525 3.1 7.1 1.0 CD B:GLU528 3.3 30.0 1.0 CG B:ASP518 3.3 9.7 1.0 CG B:GLU525 3.5 11.4 1.0 OE1 B:GLU528 3.5 19.7 1.0 C B:VAL523 3.5 18.5 1.0 CG B:ASN521 3.5 38.6 1.0 CA B:ASN521 3.9 26.5 1.0 CB B:ASP518 4.0 10.3 1.0 CB B:ASN521 4.1 33.1 1.0 OE1 B:GLU525 4.2 8.1 1.0 N B:VAL523 4.2 15.3 1.0 ND2 B:ASN531 4.2 11.0 1.0 O B:ASP518 4.3 14.1 1.0 CA B:VAL523 4.3 16.8 1.0 OD1 B:ASP518 4.3 15.1 1.0 CB B:GLU525 4.4 18.6 1.0 N B:GLU525 4.5 15.9 1.0 C B:ASN521 4.5 23.1 1.0 O B:HOH56 4.5 16.7 1.0 CG1 B:VAL523 4.5 31.9 1.0 N B:VAL524 4.5 18.2 1.0 CG B:GLU528 4.6 17.8 1.0 ND2 B:ASN521 4.7 33.6 1.0 CA B:VAL524 4.7 19.1 1.0 N B:THR522 4.8 21.9 1.0 CG2 B:VAL523 4.8 19.6 1.0 CB B:VAL523 4.8 26.3 1.0 C B:VAL524 4.8 11.3 1.0 CB B:GLU528 4.9 16.9 1.0

F.Forouhar, H.Neely, J.Seetharaman, M.Mao, R.Xiao, C.Ciccosanti, D.Lee, J.K.Everett, R.Nair, T.B.Acton, B.Rost, G.T.Montelione, J.F.Hunt, L.Tong. Northeast Structural Genomics Consortium Target PFR193A To Be Published.