Calcium in PDB 3om4: Crystal Structure of B. Megaterium Levansucrase Mutant K373A

All present enzymatic activity of Crystal Structure of B. Megaterium Levansucrase Mutant K373A:
2.4.1.10;

The structure of Crystal Structure of B. Megaterium Levansucrase Mutant K373A, PDB code: 3om4 was solved by C.P.Strube, A.Homann, M.Gamer, D.Jahn, J.Seibel, D.W.Heinz, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.77 / 1.75
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	93.585, 100.075, 95.544, 90.00, 90.67, 90.00
R / Rfree (%)	20.2 / 21.3

The binding sites of Calcium atom in the Crystal Structure of B. Megaterium Levansucrase Mutant K373A (pdb code 3om4). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 4 binding sites of Calcium where determined in the Crystal Structure of B. Megaterium Levansucrase Mutant K373A, PDB code: 3om4:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in the Crystal Structure of B. Megaterium Levansucrase Mutant K373A


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of B. Megaterium Levansucrase Mutant K373A within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1 b:8.2 occ:1.00 OE1 A:GLN282 2.3 6.6 1.0 O A:LEU318 2.3 8.1 1.0 OD1 A:ASN320 2.3 5.0 1.0 O A:HOH487 2.4 7.8 1.0 OD1 A:ASP251 2.4 12.6 1.0 OD2 A:ASP349 2.5 8.1 1.0 OD1 A:ASP349 2.6 7.7 1.0 CG A:ASP349 2.9 8.4 1.0 CG A:ASN320 3.4 5.4 1.0 CG A:ASP251 3.4 13.0 1.0 CD A:GLN282 3.5 7.2 1.0 C A:LEU318 3.5 7.9 1.0 OD2 A:ASP251 3.8 12.5 1.0 N A:ASN320 4.0 6.1 1.0 ND2 A:ASN274 4.1 5.3 1.0 ND2 A:ASN320 4.2 5.4 1.0 NE2 A:GLN282 4.2 7.3 1.0 O A:ASN252 4.2 12.3 1.0 CA A:LEU318 4.3 8.3 1.0 CB A:ASP349 4.4 7.9 1.0 CB A:GLN282 4.4 6.9 1.0 N A:ASN252 4.4 13.0 1.0 CB A:LEU318 4.5 8.4 1.0 CB A:ASN320 4.5 5.8 1.0 CG A:GLN282 4.5 7.0 1.0 N A:ALA319 4.5 7.2 1.0 NE2 A:GLN236 4.6 9.1 1.0 CG A:ASN274 4.6 6.0 1.0 CA A:ALA319 4.7 6.8 1.0 CA A:ASN320 4.7 5.8 1.0 C A:ALA319 4.7 6.4 1.0 CB A:ASP251 4.8 13.4 1.0 O A:HOH564 4.8 14.5 1.0 OE1 A:GLN236 4.8 9.6 1.0 C A:ASN252 4.8 12.4 1.0 CB A:ASN274 4.9 6.1 1.0 CA A:ASP251 5.0 13.6 1.0

Calcium binding site 2 out of 4 in the Crystal Structure of B. Megaterium Levansucrase Mutant K373A


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure of B. Megaterium Levansucrase Mutant K373A within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca1 b:8.7 occ:1.00 OE1 B:GLN282 2.3 8.6 1.0 OD1 B:ASN320 2.3 6.6 1.0 O B:LEU318 2.4 7.1 1.0 OD1 B:ASP251 2.4 15.4 1.0 O B:HOH2 2.5 11.4 1.0 OD1 B:ASP349 2.5 7.4 1.0 OD2 B:ASP349 2.6 9.4 1.0 CG B:ASP349 2.9 8.5 1.0 CG B:ASP251 3.4 15.8 1.0 CG B:ASN320 3.4 6.3 1.0 CD B:GLN282 3.4 8.7 1.0 C B:LEU318 3.6 7.0 1.0 OD2 B:ASP251 3.7 14.2 1.0 N B:ASN320 4.0 5.9 1.0 ND2 B:ASN274 4.0 7.0 1.0 ND2 B:ASN320 4.1 6.5 1.0 NE2 B:GLN282 4.2 9.2 1.0 O B:ASN252 4.2 15.4 1.0 CB B:GLN282 4.4 6.5 1.0 CB B:ASP349 4.4 8.0 1.0 CA B:LEU318 4.4 7.3 1.0 N B:ASN252 4.5 15.8 1.0 CB B:ASN320 4.5 6.0 1.0 CG B:GLN282 4.5 8.0 1.0 N B:ALA319 4.5 6.6 1.0 CB B:LEU318 4.6 7.6 1.0 CA B:ALA319 4.6 6.2 1.0 CG B:ASN274 4.6 6.7 1.0 C B:ALA319 4.7 6.0 1.0 CA B:ASN320 4.7 5.8 1.0 NE2 B:GLN236 4.8 10.9 1.0 CB B:ASP251 4.8 16.2 1.0 OE1 B:GLN236 4.8 10.9 1.0 O B:HOH597 4.8 15.7 1.0 CB B:ASN274 4.9 6.2 1.0 C B:ASN252 4.9 15.2 1.0

Calcium binding site 3 out of 4 in the Crystal Structure of B. Megaterium Levansucrase Mutant K373A


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Crystal Structure of B. Megaterium Levansucrase Mutant K373A within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca1 b:7.8 occ:1.00 O C:HOH3 2.3 9.6 1.0 OD1 C:ASN320 2.3 5.1 1.0 OD1 C:ASP251 2.3 11.2 1.0 OE1 C:GLN282 2.3 8.7 1.0 O C:LEU318 2.4 8.1 1.0 OD1 C:ASP349 2.4 7.1 1.0 OD2 C:ASP349 2.6 7.5 1.0 CG C:ASP349 2.8 8.0 1.0 CG C:ASP251 3.4 12.1 1.0 CG C:ASN320 3.4 5.9 1.0 CD C:GLN282 3.5 9.6 1.0 C C:LEU318 3.6 8.1 1.0 OD2 C:ASP251 3.7 11.3 1.0 N C:ASN320 4.0 6.2 1.0 ND2 C:ASN274 4.0 5.1 1.0 O C:ASN252 4.1 10.6 1.0 ND2 C:ASN320 4.2 6.1 1.0 NE2 C:GLN282 4.3 9.3 1.0 CB C:ASP349 4.3 7.9 1.0 CA C:LEU318 4.4 8.6 1.0 CB C:GLN282 4.4 10.4 1.0 N C:ASN252 4.4 11.3 1.0 CB C:ASN320 4.5 5.8 1.0 N C:ALA319 4.5 7.5 1.0 CG C:GLN282 4.6 10.1 1.0 CG C:ASN274 4.6 6.1 1.0 CB C:LEU318 4.6 8.9 1.0 NE2 C:GLN236 4.6 7.7 1.0 CA C:ALA319 4.6 6.9 1.0 C C:ALA319 4.7 6.7 1.0 CA C:ASN320 4.7 6.0 1.0 CB C:ASP251 4.7 12.3 1.0 CB C:ASN274 4.8 6.6 1.0 OE1 C:GLN236 4.8 8.3 1.0 C C:ASN252 4.8 10.7 1.0 O C:HOH507 4.9 13.9 1.0 CA C:ASP251 5.0 12.5 1.0

Calcium binding site 4 out of 4 in the Crystal Structure of B. Megaterium Levansucrase Mutant K373A


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Crystal Structure of B. Megaterium Levansucrase Mutant K373A within 5.0Å range: probe atom residue distance (Å) B Occ D:Ca1 b:6.8 occ:1.00 O D:HOH4 2.3 8.8 1.0 O D:LEU318 2.3 6.5 1.0 OD1 D:ASP251 2.3 10.6 1.0 OD1 D:ASN320 2.4 5.4 1.0 OE1 D:GLN282 2.4 8.1 1.0 OD1 D:ASP349 2.4 7.1 1.0 OD2 D:ASP349 2.6 7.2 1.0 CG D:ASP349 2.9 7.5 1.0 CG D:ASP251 3.4 11.2 1.0 CG D:ASN320 3.5 5.5 1.0 CD D:GLN282 3.5 8.5 1.0 C D:LEU318 3.6 6.5 1.0 OD2 D:ASP251 3.7 10.6 1.0 N D:ASN320 4.0 5.2 1.0 ND2 D:ASN274 4.1 7.2 1.0 O D:ASN252 4.1 10.1 1.0 ND2 D:ASN320 4.2 6.0 1.0 NE2 D:GLN282 4.3 9.2 1.0 CB D:GLN282 4.3 8.3 1.0 CB D:ASP349 4.4 7.8 1.0 CA D:LEU318 4.4 6.9 1.0 N D:ASN252 4.4 10.9 1.0 CG D:GLN282 4.5 8.2 1.0 CB D:ASN320 4.5 5.1 1.0 N D:ALA319 4.5 6.2 1.0 NE2 D:GLN236 4.5 7.1 1.0 CA D:ALA319 4.6 5.7 1.0 CB D:LEU318 4.6 7.0 1.0 C D:ALA319 4.7 5.4 1.0 CG D:ASN274 4.7 7.2 1.0 CA D:ASN320 4.7 5.3 1.0 CB D:ASP251 4.7 11.1 1.0 OE1 D:GLN236 4.8 6.8 1.0 CB D:ASN274 4.8 6.8 1.0 C D:ASN252 4.8 10.4 1.0 O D:HOH567 4.9 9.9 1.0 CA D:ASP251 5.0 11.2 1.0

C.P.Strube, A.Homann, M.Gamer, D.Jahn, J.Seibel, D.W.Heinz. Crystal Structure of B. Megaterium Levansucrase Mutant K373A To Be Published.