Calcium in PDB 4q6b: Crystal Structure of Abc Transporter Substrate-Binding Protein Fromdesulfitobacterium Hafniense Complex with Leu

The structure of Crystal Structure of Abc Transporter Substrate-Binding Protein Fromdesulfitobacterium Hafniense Complex with Leu, PDB code: 4q6b was solved by Y.Kim, G.Chhor, M.Endres, A.Joachimiak, Midwest Center For Structuralgenomics (Mcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	31.09 / 1.67
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	60.425, 42.765, 63.577, 90.00, 108.95, 90.00
R / Rfree (%)	16.8 / 20.6

The binding sites of Calcium atom in the Crystal Structure of Abc Transporter Substrate-Binding Protein Fromdesulfitobacterium Hafniense Complex with Leu (pdb code 4q6b). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 3 binding sites of Calcium where determined in the Crystal Structure of Abc Transporter Substrate-Binding Protein Fromdesulfitobacterium Hafniense Complex with Leu, PDB code: 4q6b:
Jump to Calcium binding site number: 1; 2; 3;

Calcium binding site 1 out of 3 in the Crystal Structure of Abc Transporter Substrate-Binding Protein Fromdesulfitobacterium Hafniense Complex with Leu


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 Abc Transporter Substrate-Binding Protein Fromdesulfitobacterium Hafniense Complex with Leu within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca402 b:20.6 occ:0.47 O A:HOH677 2.1 38.8 1.0 O A:HOH529 2.3 27.9 1.0 O A:HOH669 2.4 33.0 1.0 O A:HOH551 2.5 22.9 1.0 O A:ALA94 2.6 18.8 1.0 O A:HOH605 3.7 30.2 1.0 C A:ALA94 3.7 17.3 1.0 CB A:ALA94 4.4 14.6 1.0 O A:GLY95 4.4 19.7 1.0 CA A:ALA94 4.5 14.5 1.0 O A:HOH534 4.5 21.0 1.0 C A:GLY95 4.6 18.4 1.0 O A:ALA67 4.6 22.3 1.0 N A:GLY95 4.8 14.8 1.0 O A:HOH516 4.8 17.7 1.0 CA A:GLY95 4.9 14.1 1.0 O A:HOH582 4.9 34.6 1.0

Calcium binding site 2 out of 3 in the Crystal Structure of Abc Transporter Substrate-Binding Protein Fromdesulfitobacterium Hafniense Complex with Leu


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 Abc Transporter Substrate-Binding Protein Fromdesulfitobacterium Hafniense Complex with Leu within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca403 b:35.2 occ:1.00 O A:HOH504 2.1 29.8 1.0 O A:GLY167 2.4 20.5 1.0 O A:HOH683 2.5 36.9 1.0 O A:HOH657 2.5 41.0 1.0 O A:HOH503 2.6 28.5 1.0 O A:HOH505 2.8 30.4 1.0 C A:GLY167 3.4 22.1 1.0 CA A:GLY167 3.9 19.9 1.0 N A:ILE168 4.6 17.8 1.0 OG1 A:THR169 4.7 32.3 1.0 O A:GLU140 4.8 20.2 1.0 OE1 A:GLU140 4.9 41.5 1.0 O A:HOH614 4.9 32.7 1.0 CB A:GLU140 4.9 22.2 1.0

Calcium binding site 3 out of 3 in the Crystal Structure of Abc Transporter Substrate-Binding Protein Fromdesulfitobacterium Hafniense Complex with Leu


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 Abc Transporter Substrate-Binding Protein Fromdesulfitobacterium Hafniense Complex with Leu within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca404 b:24.0 occ:1.00 O A:HOH502 2.2 35.4 1.0 O A:HOH554 2.3 34.4 1.0 O A:ARG173 2.3 21.8 1.0 O A:HOH501 2.4 26.5 1.0 O A:HOH672 2.4 26.3 1.0 OD1 A:ASP172 2.4 20.1 1.0 O A:HOH673 2.8 41.9 1.0 CG A:ASP172 3.5 23.1 1.0 C A:ARG173 3.6 18.2 1.0 OD2 A:ASP172 3.9 21.9 1.0 N A:ARG173 4.0 20.3 1.0 CA A:ARG173 4.4 21.6 1.0 N A:PHE174 4.5 20.3 1.0 CB A:PHE174 4.5 24.2 1.0 CA A:PHE174 4.5 21.2 1.0 NZ A:LYS189 4.6 37.2 1.0 CG A:ARG173 4.8 41.7 1.0 CB A:ASP172 4.8 20.1 1.0 C A:ASP172 4.9 18.4 1.0 CA A:ASP172 5.0 18.6 1.0

Y.Kim, G.Chhor, M.Endres, A.Joachimiak. Crystal Structure of Abc Transporter Substrate-Binding Protein Fromdesulfitobacterium Hafniense Complex with Leu To Be Published 2014.