Chlorine in PDB 3byq: Crystal Structure of A DUF1185 Family Protein (BB2672) From Bordetella Bronchiseptica RB50 at 1.70 A Resolution

The structure of Crystal Structure of A DUF1185 Family Protein (BB2672) From Bordetella Bronchiseptica RB50 at 1.70 A Resolution, PDB code: 3byq was solved by Joint Center For Structural Genomics (Jcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.85 / 1.70
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	96.542, 133.127, 92.544, 90.00, 90.00, 90.00
R / Rfree (%)	13.8 / 16.9

The binding sites of Chlorine atom in the Crystal Structure of A DUF1185 Family Protein (BB2672) From Bordetella Bronchiseptica RB50 at 1.70 A Resolution (pdb code 3byq). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of A DUF1185 Family Protein (BB2672) From Bordetella Bronchiseptica RB50 at 1.70 A Resolution, PDB code: 3byq:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure of A DUF1185 Family Protein (BB2672) From Bordetella Bronchiseptica RB50 at 1.70 A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of A DUF1185 Family Protein (BB2672) From Bordetella Bronchiseptica RB50 at 1.70 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl193 b:25.0 occ:1.00 O1 A:EDO197 3.0 45.7 1.0 NZ A:LYS81 3.4 21.7 1.0 N A:VAL116 3.4 18.6 1.0 NH1 A:ARG106 3.5 37.6 1.0 C1 A:EDO197 3.6 46.4 1.0 CG2 A:VAL116 3.7 17.1 1.0 CD A:ARG106 3.7 24.5 1.0 CB A:VAL116 3.8 17.0 1.0 CA A:GLY102 3.9 19.6 1.0 CG A:MSE115 4.0 25.7 0.5 C A:GLY102 4.1 20.1 1.0 CA A:VAL116 4.2 16.8 1.0 CG A:MSE115 4.2 22.9 0.5 CD1 A:TRP103 4.2 36.3 1.0 CA A:MSE115 4.3 21.8 0.5 CA A:MSE115 4.3 21.6 0.5 C A:MSE115 4.3 22.1 1.0 O A:GLY102 4.4 19.5 1.0 O A:HIS98 4.4 19.7 1.0 O A:VAL116 4.4 20.4 1.0 CZ A:ARG106 4.4 35.4 1.0 NE A:ARG106 4.5 30.1 1.0 CE A:LYS81 4.5 21.9 1.0 N A:TRP103 4.6 20.8 1.0 NE1 A:TRP103 4.6 32.4 1.0 CB A:MSE115 4.7 23.6 0.5 C A:VAL116 4.8 16.8 1.0 CB A:MSE115 4.8 23.4 0.5 CG A:ARG106 4.9 17.5 1.0 C2 A:EDO197 4.9 38.7 1.0 O A:HOH215 5.0 25.4 1.0 CE A:MSE115 5.0 22.8 0.5

Chlorine binding site 2 out of 4 in the Crystal Structure of A DUF1185 Family Protein (BB2672) From Bordetella Bronchiseptica RB50 at 1.70 A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of A DUF1185 Family Protein (BB2672) From Bordetella Bronchiseptica RB50 at 1.70 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl193 b:24.2 occ:1.00 O1 C:EDO202 3.0 43.5 1.0 NZ B:LYS81 3.2 22.1 1.0 NH1 B:ARG106 3.3 37.2 1.0 N B:VAL116 3.4 18.6 1.0 CG2 B:VAL116 3.6 24.4 1.0 CD B:ARG106 3.7 30.5 1.0 C1 C:EDO202 3.7 46.4 1.0 CB B:VAL116 3.8 20.4 1.0 CA B:GLY102 4.0 19.2 1.0 CG B:MSE115 4.0 22.0 1.0 CA B:VAL116 4.2 17.5 1.0 CA B:MSE115 4.3 16.9 1.0 C B:GLY102 4.3 19.2 1.0 C B:MSE115 4.3 19.4 1.0 CD1 B:TRP103 4.3 23.8 1.0 CZ B:ARG106 4.4 34.8 1.0 O B:VAL116 4.4 21.4 1.0 NE B:ARG106 4.5 33.4 1.0 CE B:LYS81 4.5 18.9 1.0 O B:GLY102 4.5 23.7 1.0 O B:HIS98 4.5 19.9 1.0 NE1 B:TRP103 4.6 30.8 1.0 CE2 C:TYR140 4.6 26.5 1.0 O B:HOH379 4.7 32.0 1.0 CB B:MSE115 4.7 22.0 1.0 N B:TRP103 4.8 22.0 1.0 C B:VAL116 4.8 18.3 1.0 CG B:ARG106 4.9 23.4 1.0 OH C:TYR140 4.9 22.8 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of A DUF1185 Family Protein (BB2672) From Bordetella Bronchiseptica RB50 at 1.70 A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of A DUF1185 Family Protein (BB2672) From Bordetella Bronchiseptica RB50 at 1.70 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl193 b:61.7 occ:1.00 NH2 B:ARG142 3.5 22.9 1.0 NE B:ARG142 3.6 20.7 1.0 O B:HOH221 4.0 33.6 1.0 CZ B:ARG142 4.0 20.6 1.0 CB C:HIS98 4.1 19.1 1.0 NE1 C:TRP103 4.2 34.8 1.0 C C:HIS98 4.2 20.0 1.0 N C:GLU99 4.3 18.4 1.0 CE2 B:PHE145 4.3 19.3 1.0 O C:HIS98 4.3 19.9 1.0 CA C:GLU99 4.4 20.3 1.0 CD B:ARG142 4.7 21.9 1.0 CB C:GLU99 4.7 20.0 1.0 CG B:ARG142 4.7 17.8 1.0 O C:HOH226 4.7 31.4 1.0 CZ B:PHE145 4.8 21.3 1.0 CD2 B:TYR140 4.8 24.6 1.0 CA C:HIS98 4.8 17.8 1.0 CE2 C:TRP103 4.9 36.0 1.0 O C:HOH227 5.0 16.8 1.0 O B:TYR140 5.0 20.1 1.0 CD1 C:TRP103 5.0 36.5 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of A DUF1185 Family Protein (BB2672) From Bordetella Bronchiseptica RB50 at 1.70 A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of A DUF1185 Family Protein (BB2672) From Bordetella Bronchiseptica RB50 at 1.70 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl194 b:28.7 occ:1.00 NZ C:LYS81 3.1 22.2 1.0 NH1 C:ARG106 3.3 36.5 1.0 N C:VAL116 3.4 22.0 1.0 CG2 C:VAL116 3.7 16.8 1.0 CB C:VAL116 3.7 18.1 1.0 CD C:ARG106 3.8 35.5 1.0 CA C:GLY102 3.9 20.2 1.0 CA C:VAL116 4.1 18.7 1.0 C C:GLY102 4.2 21.8 1.0 CG C:MSE115 4.2 26.3 1.0 CZ C:ARG106 4.3 42.7 1.0 CD1 C:TRP103 4.4 36.5 1.0 O C:VAL116 4.4 20.1 1.0 CE C:LYS81 4.4 20.6 1.0 C C:MSE115 4.4 20.9 1.0 CA C:MSE115 4.4 20.1 1.0 O C:HIS98 4.4 19.9 1.0 O C:GLY102 4.4 21.4 1.0 NE C:ARG106 4.5 37.7 1.0 N C:TRP103 4.7 21.2 1.0 NE1 C:TRP103 4.7 34.8 1.0 CE2 B:TYR140 4.8 29.5 1.0 C C:VAL116 4.8 19.1 1.0 CB C:MSE115 4.9 23.4 1.0 CG C:ARG106 4.9 25.9 1.0 OH B:TYR140 5.0 24.4 1.0

C.Bakolitsa, A.Kumar, K.K.Jin, D.Mcmullan, S.S.Krishna, M.D.Miller, P.Abdubek, C.Acosta, T.Astakhova, H.L.Axelrod, P.Burra, D.Carlton, C.Chen, H.J.Chiu, T.Clayton, D.Das, M.C.Deller, L.Duan, Y.Elias, K.Ellrott, D.Ernst, C.L.Farr, J.Feuerhelm, J.C.Grant, A.Grzechnik, S.K.Grzechnik, G.W.Han, L.Jaroszewski, H.A.Johnson, H.E.Klock, M.W.Knuth, P.Kozbial, D.Marciano, A.T.Morse, K.D.Murphy, E.Nigoghossian, A.Nopakun, L.Okach, J.Paulsen, C.Puckett, R.Reyes, C.L.Rife, N.Sefcovic, H.J.Tien, C.B.Trame, C.V.Trout, H.Van Den Bedem, D.Weekes, A.White, Q.Xu, K.O.Hodgson, J.Wooley, M.A.Elsliger, A.M.Deacon, A.Godzik, S.A.Lesley, I.A.Wilson. Structures of the First Representatives of Pfam Family PF06684 (DUF1185) Reveal A Novel Variant of the Bacillus Chorismate Mutase Fold and Suggest A Role in Amino-Acid Metabolism. Acta Crystallogr.,Sect.F V. 66 1182 2010.
ISSN: ESSN 1744-3091
PubMed: 20944209
DOI: 10.1107/S1744309109050647