Chlorine in PDB 4fi4: Crystal Structure of Mannonate Dehydratase PRK15072 (Target Efi- 502214) From Caulobacter Sp. K31

The structure of Crystal Structure of Mannonate Dehydratase PRK15072 (Target Efi- 502214) From Caulobacter Sp. K31, PDB code: 4fi4 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)	47.74 / 2.00
Space group	I 4 2 2
Cell size a, b, c (Å), α, β, γ (°)	137.617, 137.617, 264.696, 90.00, 90.00, 90.00
R / Rfree (%)	14.9 / 20.4

The structure of Crystal Structure of Mannonate Dehydratase PRK15072 (Target Efi- 502214) From Caulobacter Sp. K31 also contains other interesting chemical elements:

Magnesium

(Mg)

3 atoms

The binding sites of Chlorine atom in the Crystal Structure of Mannonate Dehydratase PRK15072 (Target Efi- 502214) From Caulobacter Sp. K31 (pdb code 4fi4). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the Crystal Structure of Mannonate Dehydratase PRK15072 (Target Efi- 502214) From Caulobacter Sp. K31, PDB code: 4fi4:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in the Crystal Structure of Mannonate Dehydratase PRK15072 (Target Efi- 502214) From Caulobacter Sp. K31


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 Mannonate Dehydratase PRK15072 (Target Efi- 502214) From Caulobacter Sp. K31 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl503 b:48.3 occ:1.00 NE A:ARG49 2.9 30.9 1.0 O A:HOH615 2.9 50.0 1.0 N A:VAL9 3.0 26.6 1.0 CG A:ARG49 3.4 43.2 1.0 CD A:ARG49 3.5 31.7 1.0 O A:VAL9 3.6 36.3 1.0 CA A:LYS8 3.7 37.7 0.5 CB A:LYS8 3.8 41.6 0.5 CA A:LYS8 3.8 38.7 0.5 CZ A:ARG49 3.8 35.4 1.0 C A:LYS8 3.8 34.3 1.0 CA A:VAL9 3.9 29.6 1.0 CB A:VAL9 3.9 27.9 1.0 CD A:LYS8 3.9 62.9 0.5 NH2 A:ARG49 4.0 38.2 1.0 CB A:LYS8 4.2 39.1 0.5 C A:VAL9 4.2 29.2 1.0 O A:HOH883 4.2 49.9 1.0 CG2 A:VAL9 4.2 30.7 1.0 CG A:LYS8 4.5 58.9 0.5 CB A:ARG49 4.8 28.4 1.0 CG A:LYS8 4.8 43.7 0.5 O A:ALA7 4.8 28.4 1.0 CE A:LYS8 4.9 41.3 0.5

Chlorine binding site 2 out of 5 in the Crystal Structure of Mannonate Dehydratase PRK15072 (Target Efi- 502214) From Caulobacter Sp. K31


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 Mannonate Dehydratase PRK15072 (Target Efi- 502214) From Caulobacter Sp. K31 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl505 b:49.4 occ:1.00 N A:ILE129 3.1 27.9 1.0 O A:HOH745 3.2 42.6 1.0 CE1 A:HIS190 3.6 40.8 1.0 CG1 A:ILE129 3.6 35.6 1.0 NH2 B:ARG137 3.7 41.3 1.0 CA A:THR128 3.7 27.8 1.0 CB A:THR128 3.8 34.4 1.0 CD1 A:ILE129 3.8 31.5 1.0 CB A:ILE129 3.9 29.6 1.0 C A:THR128 3.9 32.7 1.0 CA A:ILE129 4.1 31.1 1.0 NE2 A:HIS190 4.2 39.5 1.0 OE1 A:GLU130 4.2 29.6 1.0 CG2 A:THR128 4.4 30.1 1.0 CZ B:ARG137 4.6 43.9 1.0 ND1 A:HIS190 4.7 39.0 1.0 OG A:SER151 4.9 51.7 1.0

Chlorine binding site 3 out of 5 in the Crystal Structure of Mannonate Dehydratase PRK15072 (Target Efi- 502214) From Caulobacter Sp. K31


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 Mannonate Dehydratase PRK15072 (Target Efi- 502214) From Caulobacter Sp. K31 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl508 b:36.4 occ:0.50 O A:HOH785 2.8 48.1 1.0 N A:VAL82 3.4 25.6 1.0 CB A:VAL82 3.7 24.6 1.0 CA A:GLY80 3.7 28.8 1.0 N A:PRO81 3.7 24.3 1.0 C A:GLY80 3.7 25.2 1.0 CD A:PRO81 3.8 25.1 1.0 CG2 A:VAL82 3.8 20.9 1.0 CA A:VAL82 4.1 22.8 1.0 N A:ALA83 4.3 20.0 1.0 O A:GLY79 4.3 31.0 1.0 O A:GLY80 4.4 24.2 1.0 C A:PRO81 4.4 22.2 1.0 CA A:PRO81 4.6 20.6 1.0 C A:VAL82 4.7 24.2 1.0 N A:GLY80 4.9 25.9 1.0 CG A:PRO81 5.0 30.9 1.0 CG1 A:VAL82 5.0 24.3 1.0 CB A:PRO81 5.0 21.9 1.0

Chlorine binding site 4 out of 5 in the Crystal Structure of Mannonate Dehydratase PRK15072 (Target Efi- 502214) From Caulobacter Sp. K31


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 Mannonate Dehydratase PRK15072 (Target Efi- 502214) From Caulobacter Sp. K31 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl503 b:54.3 occ:1.00 N B:ILE129 3.1 28.0 1.0 O B:HOH853 3.2 53.7 1.0 O B:HOH804 3.2 49.3 1.0 CA B:THR128 3.5 31.7 1.0 CB B:THR128 3.6 33.4 1.0 NH2 A:ARG137 3.7 38.9 1.0 CE1 B:HIS190 3.7 40.2 1.0 CG1 B:ILE129 3.8 33.3 1.0 C B:THR128 3.8 29.8 1.0 CB B:ILE129 3.9 34.5 1.0 CA B:ILE129 4.1 26.8 1.0 CD1 B:ILE129 4.1 32.5 1.0 CG2 B:THR128 4.3 38.0 1.0 OE1 B:GLU130 4.3 31.0 1.0 NE2 B:HIS190 4.3 40.8 1.0 CZ A:ARG137 4.5 31.0 1.0 O B:GLU127 4.8 35.1 1.0 OG1 B:THR128 4.8 39.6 1.0 N B:THR128 4.8 26.7 1.0 ND1 B:HIS190 4.9 46.0 1.0

Chlorine binding site 5 out of 5 in the Crystal Structure of Mannonate Dehydratase PRK15072 (Target Efi- 502214) From Caulobacter Sp. K31


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of Mannonate Dehydratase PRK15072 (Target Efi- 502214) From Caulobacter Sp. K31 within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl505 b:38.0 occ:1.00 O C:HOH775 2.8 41.9 1.0 N C:VAL82 3.3 23.1 1.0 CB C:VAL82 3.6 30.5 1.0 C C:GLY80 3.7 33.3 1.0 N C:PRO81 3.7 26.7 1.0 CD C:PRO81 3.7 29.2 1.0 CA C:GLY80 3.7 32.3 1.0 CG2 C:VAL82 3.8 23.7 1.0 CA C:VAL82 4.0 32.1 1.0 N C:ALA83 4.2 26.8 1.0 O C:GLY80 4.3 28.6 1.0 O C:GLY79 4.3 31.0 1.0 C C:PRO81 4.4 28.5 1.0 CA C:PRO81 4.6 25.0 1.0 C C:VAL82 4.7 31.0 1.0 CG1 C:VAL82 4.9 24.3 1.0 N C:GLY80 4.9 26.5 1.0 CG C:PRO81 4.9 34.4 1.0 CB C:PRO81 5.0 27.7 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 PRK15072 (Target Efi-502214) From Caulobacter Sp. K31 To Be Published.