Cadmium in the structure of Structure of Nitrocefin Acyl-Penicillin Binding Protein 2A From Methicillin Resistant Staphylococcus Aureus Strain 27R At 2.00 A Resolution. (pdb 1mws)

The binding sites of Cadmium atom in the structure of Structure of Nitrocefin Acyl-Penicillin Binding Protein 2A From Methicillin Resistant Staphylococcus Aureus Strain 27R At 2.00 A Resolution. (pdb code 1mws). This binding sites where shown with 5.0 Angstroms radius around Cadmium atom. The 1mws structure was solved by D.C.LIM, N.C.J.STRYNADKA, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 25.0-2.0 Space group P212121 a (A) 80.582 b (A) 100.747 c (A) 187.244 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 23.4 Rfree (%) 27.4 Cadmium Binding Sites: Cadmium binding site 1 out of 8 in 1mws Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Cadmium in the PDB 1mws. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Cadmium atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: A: His143, A: Glu145, A: Thr300, A: Val302, A: Asn307, B: His143, B: Ile144, B: Glu145, A: Cl1010, B: Cd1002, A: Hoh1016, conact list: Atom Atom Distance (A) Cd NE2 A:His143 4.40 Cd CB A:His143 3.65 Cd ND1 A:His143 2.32 Cd CD2 A:His143 4.47 Cd CE1 A:His143 3.25 Cd CG A:His143 3.34 Cd OE1 A:Glu145 2.31 Cd OE2 A:Glu145 3.88 Cd CD A:Glu145 3.07 Cd CG A:Glu145 3.69 Cd OG1 A:Thr300 4.80 Cd CG2 A:Val302 4.39 Cd OD1 A:Asn307 4.38 Cd ND1 B:His143 4.24 Cd CE1 B:His143 4.70 Cd CG B:His143 4.82 Cd O B:Ile144 4.73 Cd OE1 B:Glu145 2.35 Cd OE2 B:Glu145 2.39 Cd CD B:Glu145 2.70 Cd CG B:Glu145 4.21 Cd CL A:Cl1010 2.39 Cd CD B:Cd1002 3.73 Cd O A:Hoh1016 2.23 interactive model: Cadmium binding site 2 out of 8 in 1mws Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Cadmium in the PDB 1mws. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Cadmium atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: A: Gln207, A: Asp209, B: Gly135, B: Met136, B: Gln137, B: His311, B: Cl1012, B: Hoh1082, conact list: Atom Atom Distance (A) Cd CB A:Gln207 4.81 Cd CB A:Asp209 4.08 Cd OD2 A:Asp209 2.28 Cd OD1 A:Asp209 2.16 Cd CG A:Asp209 2.55 Cd CA A:Asp209 4.96 Cd O B:Gly135 2.21 Cd N B:Gly135 4.96 Cd C B:Gly135 3.20 Cd CA B:Gly135 3.60 Cd N B:Met136 4.42 Cd CA B:Met136 4.97 Cd NE2 B:Gln137 3.99 Cd CD B:Gln137 4.35 Cd CG B:Gln137 4.12 Cd NE2 B:His311 2.30 Cd ND1 B:His311 4.40 Cd CD2 B:His311 3.21 Cd CE1 B:His311 3.31 Cd CG B:His311 4.39 Cd CL B:Cl1012 2.47 Cd O B:Hoh1082 2.31 interactive model: Cadmium binding site 3 out of 8 in 1mws Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Cadmium in the PDB 1mws. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Cadmium atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: A: Lys229, A: Lys230, A: His232, A: Hoh1149, A: Hoh1160, conact list: Atom Atom Distance (A) Cd O A:Lys229 4.59 Cd O A:Lys230 4.23 Cd NE2 A:His232 2.46 Cd ND1 A:His232 4.58 Cd CD2 A:His232 3.22 Cd CE1 A:His232 3.56 Cd CG A:His232 4.45 Cd O A:Hoh1149 2.93 Cd O A:Hoh1160 2.83 interactive model: Cadmium binding site 4 out of 8 in 1mws Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Cadmium in the PDB 1mws. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Cadmium atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: A: Gly135, A: Met136, A: Gln137, A: His311, B: Gln207, B: Asp209, A: Cl1011, A: Hoh1024, A: Hoh1079, conact list: Atom Atom Distance (A) Cd O A:Gly135 2.25 Cd C A:Gly135 3.27 Cd CA A:Gly135 3.66 Cd N A:Met136 4.48 Cd CA A:Met136 5.00 Cd NE2 A:Gln137 4.26 Cd CD A:Gln137 4.65 Cd CG A:Gln137 4.37 Cd NE2 A:His311 2.30 Cd ND1 A:His311 4.43 Cd CD2 A:His311 3.17 Cd CE1 A:His311 3.37 Cd CG A:His311 4.38 Cd CB B:Gln207 4.80 Cd CB B:Asp209 4.30 Cd OD2 B:Asp209 2.48 Cd OD1 B:Asp209 2.37 Cd CG B:Asp209 2.77 Cd CL A:Cl1011 2.51 Cd O A:Hoh1024 2.25 Cd O A:Hoh1079 3.95 interactive model: Cadmium binding site 5 out of 8 in 1mws Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 5 of Cadmium in the PDB 1mws. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Cadmium atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: A: Lys318, A: Asp320, B: Glu150, A: Hoh1172, A: Hoh1182, conact list: Atom Atom Distance (A) Cd CE A:Lys318 4.24 Cd NZ A:Lys318 4.19 Cd CB A:Asp320 3.68 Cd OD2 A:Asp320 2.35 Cd OD1 A:Asp320 4.50 Cd CG A:Asp320 3.36 Cd OE1 B:Glu150 4.14 Cd OE2 B:Glu150 2.91 Cd CD B:Glu150 3.85 Cd O A:Hoh1172 4.54 Cd O A:Hoh1182 3.38 interactive model: Cadmium binding site 6 out of 8 in 1mws Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 6 of Cadmium in the PDB 1mws. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Cadmium atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: A: His143, A: Ile144, A: Glu145, B: His143, B: Glu145, B: Thr300, B: Val302, B: Asn307, A: Cd1001, B: Cl1009, B: Hoh1056, conact list: Atom Atom Distance (A) Cd ND1 A:His143 4.28 Cd CE1 A:His143 4.76 Cd CG A:His143 4.86 Cd O A:Ile144 4.90 Cd OE1 A:Glu145 2.50 Cd OE2 A:Glu145 2.36 Cd CD A:Glu145 2.77 Cd CG A:Glu145 4.29 Cd NE2 B:His143 4.22 Cd CB B:His143 3.56 Cd ND1 B:His143 2.16 Cd CD2 B:His143 4.31 Cd CE1 B:His143 3.07 Cd CG B:His143 3.21 Cd OE1 B:Glu145 2.11 Cd OE2 B:Glu145 3.94 Cd CD B:Glu145 3.02 Cd CG B:Glu145 3.63 Cd OG1 B:Thr300 4.79 Cd CG2 B:Val302 4.43 Cd OD1 B:Asn307 4.61 Cd CD A:Cd1001 3.73 Cd CL B:Cl1009 2.49 Cd O B:Hoh1056 2.40 interactive model: Cadmium binding site 7 out of 8 in 1mws Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 7 of Cadmium in the PDB 1mws. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Cadmium atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: B: His232, B: Hoh1140, conact list: Atom Atom Distance (A) Cd NE2 B:His232 2.57 Cd ND1 B:His232 4.60 Cd CD2 B:His232 3.57 Cd CE1 B:His232 3.45 Cd CG B:His232 4.69 Cd O B:Hoh1140 2.55 interactive model: Cadmium binding site 8 out of 8 in 1mws Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 8 of Cadmium in the PDB 1mws. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Cadmium atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: B: Lys456, B: Asn569, B: Asp573, B: Hoh1027, B: Hoh1036, B: Hoh1109, B: Hoh1137, B: Hoh1192, conact list: Atom Atom Distance (A) Cd NZ B:Lys456 4.52 Cd O B:Asn569 4.53 Cd CB B:Asn569 4.85 Cd ND2 B:Asn569 3.26 Cd OD1 B:Asn569 2.75 Cd CG B:Asn569 3.37 Cd CB B:Asp573 4.32 Cd OD2 B:Asp573 2.24 Cd OD1 B:Asp573 2.74 Cd CG B:Asp573 2.83 Cd O B:Hoh1027 2.12 Cd O B:Hoh1036 2.67 Cd O B:Hoh1109 3.78 Cd O B:Hoh1137 2.64 Cd O B:Hoh1192 3.56 interactive model: