Magnesium 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:

Chlorine

(Cl)

2 atoms

The binding sites of Magnesium 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 Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Crystal Structure of Enolase PC1_0802 (Target Efi-502240) From Pectobacterium Carotovorum Subsp. Carotovorum PC1, PDB code: 4e4f:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 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 Magnesium with other atoms in the Mg 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:Mg504 b:34.6 occ:1.00 O A:HOH762 1.9 40.0 1.0 OE2 A:GLU238 2.1 35.8 1.0 O1 A:FMT506 2.1 43.9 1.0 OD2 A:ASP212 2.1 29.3 1.0 O2 A:FMT506 2.2 39.1 1.0 OE1 A:GLU264 2.2 36.9 1.0 C A:FMT506 2.4 51.0 1.0 CG A:ASP212 2.9 32.7 1.0 CD A:GLU264 3.0 34.4 1.0 OD1 A:ASP212 3.1 34.2 1.0 CD A:GLU238 3.1 36.0 1.0 OE2 A:GLU264 3.2 30.8 1.0 OD2 A:ASP239 3.3 38.7 1.0 CG A:GLU238 3.8 30.1 1.0 OE1 A:GLU238 4.0 33.9 1.0 CG A:ASP239 4.1 42.3 1.0 O A:HOH601 4.1 29.5 1.0 CB A:ASP212 4.2 31.6 1.0 OH D:TYR75 4.3 31.4 1.0 CG A:GLU264 4.3 32.8 1.0 ND1 A:HIS214 4.5 51.4 1.0 NH2 A:ARG285 4.5 36.2 1.0 CE1 A:HIS214 4.5 60.9 1.0 CB A:ASP239 4.6 32.4 1.0 O A:HOH612 4.6 34.6 1.0 NE A:ARG285 4.9 32.6 1.0 OD1 A:ASP239 4.9 39.5 1.0

Magnesium binding site 2 out of 4 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 Magnesium with other atoms in the Mg 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:Mg505 b:38.9 occ:1.00 O B:HOH769 1.9 44.2 1.0 O2 B:FMT506 2.0 52.7 1.0 OE2 B:GLU238 2.0 35.2 1.0 OD2 B:ASP212 2.2 31.7 1.0 O1 B:FMT506 2.2 37.9 1.0 OE1 B:GLU264 2.2 44.4 1.0 C B:FMT506 2.4 60.7 1.0 CD B:GLU264 3.0 34.6 1.0 CG B:ASP212 3.0 41.1 1.0 OE2 B:GLU264 3.1 34.8 1.0 CD B:GLU238 3.1 37.5 1.0 OD1 B:ASP212 3.2 39.6 1.0 OD2 B:ASP239 3.4 40.2 1.0 CG B:GLU238 3.9 39.9 1.0 OE1 B:GLU238 4.0 31.3 1.0 O B:HOH602 4.2 30.2 1.0 CG B:ASP239 4.3 37.6 1.0 CB B:ASP212 4.3 38.3 1.0 CG B:GLU264 4.3 39.2 1.0 NH2 B:ARG285 4.3 40.7 1.0 OH C:TYR75 4.4 33.9 1.0 O B:HOH631 4.5 39.5 1.0 ND1 B:HIS214 4.6 44.8 1.0 CE1 B:HIS214 4.6 54.7 1.0 NH1 B:ARG147 4.8 57.0 1.0 CB B:ASP239 4.8 36.3 1.0 NE B:ARG285 4.8 40.7 1.0 O B:HOH703 4.9 49.2 1.0 O B:HOH751 4.9 50.8 1.0

Magnesium binding site 3 out of 4 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 Magnesium with other atoms in the Mg binding site number 3 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 C:Mg504 b:43.3 occ:1.00 O C:HOH761 1.9 39.8 1.0 OD2 C:ASP212 2.0 43.7 1.0 OE2 C:GLU238 2.1 43.1 1.0 O2 C:FMT505 2.1 37.2 1.0 OE1 C:GLU264 2.1 45.0 1.0 O1 C:FMT505 2.2 51.1 1.0 C C:FMT505 2.3 50.8 1.0 CD C:GLU264 2.9 43.5 1.0 CG C:ASP212 3.0 51.0 1.0 OE2 C:GLU264 3.0 42.0 1.0 CD C:GLU238 3.2 41.8 1.0 OD1 C:ASP212 3.3 45.9 1.0 OD2 C:ASP239 3.8 51.2 1.0 NH2 C:ARG285 3.9 40.8 1.0 CG C:GLU238 4.0 36.5 1.0 OE1 C:GLU238 4.1 42.4 1.0 O C:HOH603 4.2 32.4 1.0 O C:HOH643 4.2 42.3 1.0 CG C:GLU264 4.3 41.7 1.0 CB C:ASP212 4.3 44.2 1.0 CG C:ASP239 4.4 45.7 1.0 OH B:TYR75 4.4 33.4 1.0 ND1 C:HIS214 4.5 58.9 1.0 CE1 C:HIS214 4.6 66.9 1.0 O C:HOH692 4.7 53.0 1.0 CZ C:ARG285 4.9 43.5 1.0 CB C:ASP239 4.9 34.3 1.0 NH1 C:ARG147 5.0 75.2 1.0

Magnesium binding site 4 out of 4 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 Magnesium with other atoms in the Mg binding site number 4 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 D:Mg503 b:40.1 occ:1.00 O2 D:FMT505 2.0 55.7 1.0 O D:HOH741 2.0 48.0 1.0 O1 D:FMT505 2.1 52.5 1.0 OE2 D:GLU238 2.1 40.9 1.0 OD2 D:ASP212 2.1 31.3 1.0 OE1 D:GLU264 2.1 40.1 1.0 C D:FMT505 2.2 54.0 1.0 CG D:ASP212 2.9 34.1 1.0 CD D:GLU264 3.0 50.3 1.0 CD D:GLU238 3.0 44.2 1.0 OD1 D:ASP212 3.2 50.1 1.0 OE2 D:GLU264 3.3 36.9 1.0 OD2 D:ASP239 3.6 37.8 1.0 CG D:GLU238 3.7 35.9 1.0 OE1 D:GLU238 3.9 40.2 1.0 O D:HOH602 4.1 36.9 1.0 CB D:ASP212 4.3 44.2 1.0 NH2 D:ARG285 4.3 35.4 1.0 CG D:ASP239 4.3 38.8 1.0 OH A:TYR75 4.3 31.4 1.0 CG D:GLU264 4.3 40.3 1.0 ND1 D:HIS214 4.4 47.7 1.0 CE1 D:HIS214 4.4 64.1 1.0 O D:HOH631 4.5 38.3 1.0 CB D:ASP239 4.8 34.0 1.0 O D:HOH648 4.9 42.4 1.0 O D:HOH663 5.0 53.3 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.