Bromine in the structure of Structural Insights of the Mycoplasma Hyorhinis Protein Mh-P37: A Putative Thiamine Pyrophosphate Transporter (pdb 3eki)

The binding sites of Bromine atom in the structure of Structural Insights of the Mycoplasma Hyorhinis Protein Mh-P37: A Putative Thiamine Pyrophosphate Transporter (pdb code 3eki). This binding sites where shown with 5.0 Angstroms radius around Bromine atom. The 3eki structure was solved by K.H.SIPPEL, A.H.ROBBINS, R.REUTZEL, R.MCKENNA, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 40.0-1.6 Space group P1211 a (A) 49.457 b (A) 67.586 c (A) 59.838 alpha (°) 90.00 beta (°) 106.28 gamma (°) 90.00 Rfactor (%) n/a Rfree (%) 22.7 Bromine Binding Sites: Bromine binding site 1 out of 7 in 3eki Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Bromine in the PDB 3eki. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Bromine atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: A: Thr191, A: Asp192, A: Glu193, conact list: Atom Atom Distance (A) Br CB A:Thr191 3.92 Br CG2 A:Thr191 4.94 Br OG1 A:Thr191 4.16 Br C A:Thr191 4.57 Br CA A:Thr191 4.72 Br N A:Asp192 3.77 Br CB A:Asp192 3.88 Br OD2 A:Asp192 4.93 Br C A:Asp192 4.35 Br CG A:Asp192 4.64 Br CA A:Asp192 4.22 Br N A:Glu193 3.53 Br CB A:Glu193 3.76 Br CD A:Glu193 4.72 Br CG A:Glu193 3.38 Br CA A:Glu193 4.27 interactive model: Bromine binding site 2 out of 7 in 3eki Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Bromine in the PDB 3eki. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Bromine atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: A: Lys77, A: Lys78, A: Asn81, A: Br606, A: Hoh1040, conact list: Atom Atom Distance (A) Br O A:Lys77 4.06 Br CE A:Lys77 4.43 Br CD A:Lys77 4.49 Br C A:Lys77 4.45 Br CG A:Lys77 4.00 Br N A:Lys78 4.59 Br CB A:Lys78 4.98 Br CE A:Lys78 3.86 Br CD A:Lys78 3.52 Br CG A:Lys78 4.74 Br CA A:Lys78 4.28 Br NZ A:Lys78 3.42 Br CB A:Asn81 4.15 Br ND2 A:Asn81 3.86 Br CG A:Asn81 4.40 Br BR A:Br606 4.90 Br O A:Hoh1040 3.54 interactive model: Bromine binding site 3 out of 7 in 3eki Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Bromine in the PDB 3eki. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Bromine atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: A: Ser292, A: Ala293, A: Asp294, A: Ser307, A: Glu308, A: Ser311, A: Phe324, A: Hoh1015, A: Hoh1046, A: Hoh1198, A: Hoh1269, conact list: Atom Atom Distance (A) Br CB A:Ser292 4.72 Br OG A:Ser292 3.38 Br C A:Ser292 4.81 Br N A:Ala293 4.03 Br C A:Ala293 4.23 Br CB A:Ala293 4.01 Br CA A:Ala293 4.29 Br N A:Asp294 3.54 Br CB A:Asp294 4.01 Br OD2 A:Asp294 4.16 Br OD1 A:Asp294 4.66 Br CG A:Asp294 4.10 Br CA A:Asp294 4.31 Br CB A:Ser307 4.07 Br OG A:Ser307 4.70 Br OE2 A:Glu308 4.48 Br CB A:Ser311 3.88 Br OG A:Ser311 3.30 Br CE2 A:Phe324 4.82 Br CZ A:Phe324 3.90 Br CE1 A:Phe324 4.30 Br O A:Hoh1015 4.01 Br O A:Hoh1046 2.81 Br O A:Hoh1198 3.93 Br O A:Hoh1269 4.62 interactive model: Bromine binding site 4 out of 7 in 3eki Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Bromine in the PDB 3eki. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Bromine atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: A: Asn81, A: Lys82, A: Asn85, A: Asp95, A: Br604, A: Hoh1040, A: Hoh1085, A: Hoh1192, A: Hoh1196, A: Hoh1308, conact list: Atom Atom Distance (A) Br O A:Asn81 3.54 Br CB A:Asn81 3.80 Br C A:Asn81 3.64 Br CA A:Asn81 4.33 Br N A:Lys82 3.87 Br CB A:Lys82 4.94 Br CA A:Lys82 4.14 Br CB A:Asn85 4.34 Br ND2 A:Asn85 3.29 Br CG A:Asn85 4.27 Br OD2 A:Asp95 4.92 Br BR A:Br604 4.90 Br O A:Hoh1040 2.98 Br O A:Hoh1085 4.83 Br O A:Hoh1192 2.70 Br O A:Hoh1196 4.37 Br O A:Hoh1308 4.21 interactive model: Bromine binding site 5 out of 7 in 3eki Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 5 of Bromine in the PDB 3eki. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Bromine atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: A: His250, A: Arg281, A: Tyr288, A: Lys289, A: Gln290, A: Hoh1025, A: Hoh1231, conact list: Atom Atom Distance (A) Br NE2 A:His250 2.93 Br ND1 A:His250 4.76 Br CD2 A:His250 4.18 Br CE1 A:His250 3.48 Br CD A:Arg281 3.73 Br CZ A:Arg281 4.55 Br CG A:Arg281 4.80 Br NE A:Arg281 4.62 Br NH1 A:Arg281 3.60 Br O A:Tyr288 3.76 Br CB A:Tyr288 3.97 Br C A:Tyr288 3.81 Br CA A:Tyr288 4.59 Br O A:Lys289 4.76 Br N A:Lys289 3.81 Br C A:Lys289 3.97 Br CA A:Lys289 3.73 Br N A:Gln290 3.84 Br CB A:Gln290 4.61 Br CA A:Gln290 4.73 Br O A:Hoh1025 2.94 Br O A:Hoh1231 4.32 interactive model: Bromine binding site 6 out of 7 in 3eki Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 6 of Bromine in the PDB 3eki. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Bromine atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: A: Gly251, A: Lys252, A: Ser255, A: Lys258, A: Tpp551, A: Hoh1106, A: Hoh1169, A: Hoh1175, conact list: Atom Atom Distance (A) Br C A:Gly251 4.18 Br CA A:Gly251 3.94 Br O A:Lys252 4.85 Br N A:Lys252 3.37 Br CB A:Lys252 4.05 Br CD A:Lys252 4.93 Br CG A:Lys252 4.06 Br CA A:Lys252 4.32 Br CB A:Ser255 3.90 Br OG A:Ser255 4.24 Br CB A:Lys258 4.57 Br CE A:Lys258 3.67 Br CD A:Lys258 4.14 Br NZ A:Lys258 4.99 Br O3B A:Tpp551 4.69 Br O A:Hoh1106 3.44 Br O A:Hoh1169 3.47 Br O A:Hoh1175 3.53 interactive model: Bromine binding site 7 out of 7 in 3eki Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 7 of Bromine in the PDB 3eki. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Bromine atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: A: Asn87, A: Lys89, conact list: Atom Atom Distance (A) Br CB A:Asn87 3.84 Br ND2 A:Asn87 3.94 Br OD1 A:Asn87 3.45 Br CG A:Asn87 3.47 Br CE A:Lys89 4.15 Br CD A:Lys89 4.12 Br CG A:Lys89 4.88 interactive model: