Chlorine in PDB 4e4f: Crystal Structure of Enolase PC1_0802 (Target Efi-502240) From Pectobacterium Carotovorum Subsp. Carotovorum PC1

The structure of Crystal Structure of Enolase PC1_0802 (Target Efi-502240) From Pectobacterium Carotovorum Subsp. Carotovorum PC1, PDB code: 4e4f was solved by Y.Patskovsky, R.Toro, R.Bhosle, B.Hillerich, R.D.Seidel, E.Washington, A.Scott Glenn, S.Chowdhury, B.Evans, J.Hammonds, W.D.Zencheck, H.J.Imker, J.A.Gerlt, S.C.Almo, Enzyme Function Initiative (Efi), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.00
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	204.278, 86.338, 114.463, 90.00, 123.07, 90.00
R / Rfree (%)	18.8 / 24.5

The structure of Crystal Structure of Enolase PC1_0802 (Target Efi-502240) From Pectobacterium Carotovorum Subsp. Carotovorum PC1 also contains other interesting chemical elements:

Magnesium

(Mg)

4 atoms

The binding sites of Chlorine atom in the Crystal Structure of Enolase PC1_0802 (Target Efi-502240) From Pectobacterium Carotovorum Subsp. Carotovorum PC1 (pdb code 4e4f). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Enolase PC1_0802 (Target Efi-502240) From Pectobacterium Carotovorum Subsp. Carotovorum PC1, PDB code: 4e4f:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Enolase PC1_0802 (Target Efi-502240) From Pectobacterium Carotovorum Subsp. Carotovorum PC1


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 Enolase PC1_0802 (Target Efi-502240) From Pectobacterium Carotovorum Subsp. Carotovorum PC1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl502 b:46.2 occ:1.00 N D:VAL81 3.4 32.8 1.0 N A:VAL81 3.4 37.3 1.0 CD A:PRO80 3.4 37.0 1.0 CD D:PRO80 3.5 40.2 1.0 CB D:VAL81 3.6 35.1 1.0 N A:PRO80 3.7 31.5 1.0 N D:PRO80 3.7 40.7 1.0 CB A:VAL81 3.7 37.4 1.0 C D:GLY79 3.8 37.8 1.0 CA D:GLY79 3.8 37.9 1.0 C A:GLY79 3.8 32.4 1.0 N D:THR82 3.9 38.3 1.0 CG2 D:VAL81 3.9 27.9 1.0 CA A:GLY79 3.9 26.6 1.0 N A:THR82 3.9 36.6 1.0 CA D:VAL81 4.0 31.9 1.0 OG1 A:THR82 4.0 36.4 1.0 CG2 A:VAL81 4.0 32.8 1.0 OG1 D:THR82 4.0 29.6 1.0 CA A:VAL81 4.0 36.0 1.0 CG D:PRO80 4.1 44.5 1.0 O A:ARG78 4.2 38.2 1.0 O D:ARG78 4.2 33.1 1.0 C D:PRO80 4.3 35.9 1.0 C A:PRO80 4.4 35.1 1.0 O D:GLY79 4.4 39.2 1.0 C D:VAL81 4.5 41.2 1.0 CG A:PRO80 4.5 39.8 1.0 CA D:PRO80 4.5 38.8 1.0 O A:GLY79 4.5 36.8 1.0 CA A:PRO80 4.5 39.8 1.0 C A:VAL81 4.6 32.6 1.0 CB D:THR82 4.7 46.3 1.0 CB A:THR82 4.7 37.7 1.0 CB A:PRO80 4.9 38.2 1.0 CB D:PRO80 4.9 43.2 1.0 CA D:THR82 4.9 41.3 1.0 CG1 D:VAL81 4.9 30.4 1.0 N D:GLY79 4.9 31.6 1.0 N A:GLY79 4.9 30.6 1.0 CG1 A:VAL81 5.0 31.7 1.0 CA A:THR82 5.0 35.2 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Enolase PC1_0802 (Target Efi-502240) From Pectobacterium Carotovorum Subsp. Carotovorum PC1


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 Enolase PC1_0802 (Target Efi-502240) From Pectobacterium Carotovorum Subsp. Carotovorum PC1 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl503 b:44.8 occ:1.00 N C:VAL81 3.4 40.0 1.0 N B:VAL81 3.4 45.8 1.0 CD B:PRO80 3.5 34.7 1.0 CD C:PRO80 3.6 41.8 1.0 N B:PRO80 3.6 29.5 1.0 CB C:VAL81 3.6 38.5 1.0 CB B:VAL81 3.7 39.3 1.0 N C:PRO80 3.7 37.2 1.0 C C:GLY79 3.8 34.0 1.0 OG1 C:THR82 3.8 34.9 1.0 CA B:GLY79 3.8 35.7 1.0 C B:GLY79 3.8 37.1 1.0 CA C:GLY79 3.9 37.4 1.0 N C:THR82 3.9 40.3 1.0 CG2 C:VAL81 3.9 33.1 1.0 CG2 B:VAL81 3.9 40.7 1.0 N B:THR82 4.0 41.6 1.0 CA C:VAL81 4.0 40.2 1.0 CA B:VAL81 4.0 39.1 1.0 CG C:PRO80 4.1 45.6 1.0 OG1 B:THR82 4.2 33.3 1.0 CG B:PRO80 4.2 44.7 1.0 O C:ARG78 4.2 40.3 1.0 O B:ARG78 4.3 47.7 1.0 C B:PRO80 4.4 36.0 1.0 O C:GLY79 4.4 44.9 1.0 C C:PRO80 4.4 30.0 1.0 C C:VAL81 4.5 41.0 1.0 CA B:PRO80 4.5 42.2 1.0 CA C:PRO80 4.5 37.8 1.0 C B:VAL81 4.5 40.3 1.0 O B:GLY79 4.6 40.1 1.0 CB C:THR82 4.6 38.4 1.0 CB B:THR82 4.8 38.4 1.0 CA C:THR82 4.9 38.6 1.0 N C:GLY79 4.9 31.3 1.0 CB C:PRO80 4.9 37.4 1.0 CB B:PRO80 4.9 38.3 1.0 N B:GLY79 5.0 30.1 1.0 CG1 B:VAL81 5.0 32.8 1.0 CG1 C:VAL81 5.0 37.4 1.0 C C:ARG78 5.0 28.0 1.0

Y.Patskovsky, R.Toro, R.Bhosle, B.Hillerich, R.D.Seidel, E.Washington, A.Scott Glenn, S.Chowdhury, B.Evans, J.Hammonds, W.D.Zencheck, H.J.Imker, J.A.Gerlt, S.C.Almo. Crystal Structure of Enolase PC1_0802 From Pectobacterium Carotovorum To Be Published.