Magnesium in PDB 3fcp: Crystal Structure of Muconate Lactonizing Enzyme From Klebsiella Pneumoniae

The structure of Crystal Structure of Muconate Lactonizing Enzyme From Klebsiella Pneumoniae, PDB code: 3fcp was solved by A.A.Fedorov, E.V.Fedorov, J.M.Sauder, S.K.Burley, J.A.Gerlt, S.C.Almo, Newyork Sgx Research Center For Structural Genomics (Nysgxrc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	24.94 / 1.80
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	79.321, 122.727, 193.536, 90.00, 93.04, 90.00
R / Rfree (%)	22.9 / 25

The binding sites of Magnesium atom in the Crystal Structure of Muconate Lactonizing Enzyme From Klebsiella Pneumoniae (pdb code 3fcp). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 8 binding sites of Magnesium where determined in the Crystal Structure of Muconate Lactonizing Enzyme From Klebsiella Pneumoniae, PDB code: 3fcp:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Magnesium binding site 1 out of 8 in the Crystal Structure of Muconate Lactonizing Enzyme From Klebsiella Pneumoniae


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 Muconate Lactonizing Enzyme From Klebsiella Pneumoniae within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg382 b:17.5 occ:1.00 OD1 A:ASN201 2.2 31.6 1.0 OE2 A:GLU251 2.2 31.7 1.0 OD2 A:ASP250 2.3 24.2 1.0 O A:HOH1012 2.4 31.5 1.0 O A:HOH1011 2.5 24.4 1.0 O A:HOH1013 2.6 34.6 1.0 OE1 A:GLU251 2.7 26.7 1.0 CD A:GLU251 2.8 28.2 1.0 CG A:ASN201 3.3 32.2 1.0 CG A:ASP250 3.3 23.1 1.0 CB A:ASP250 4.0 20.5 1.0 O A:HOH434 4.1 25.2 1.0 CB A:ASN201 4.1 30.3 1.0 ND2 A:ASN201 4.2 32.6 1.0 OD1 A:ASP250 4.3 22.9 1.0 OE2 A:GLU225 4.3 23.7 1.0 CG A:GLU251 4.3 26.8 1.0 CA A:ASN201 4.4 27.2 1.0 OD2 A:ASP199 4.4 27.6 1.0 NZ A:LYS274 4.5 21.1 1.0 OD1 A:ASP199 4.6 25.1 1.0 O A:HOH440 4.6 28.5 1.0 N A:GLU251 4.9 20.6 1.0 CG A:ASP199 5.0 26.9 1.0

Magnesium binding site 2 out of 8 in the Crystal Structure of Muconate Lactonizing Enzyme From Klebsiella Pneumoniae


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 Muconate Lactonizing Enzyme From Klebsiella Pneumoniae within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg382 b:17.0 occ:1.00 OD1 B:ASN201 2.3 33.5 1.0 O B:HOH1022 2.3 27.1 1.0 OE2 B:GLU251 2.3 30.4 1.0 OD2 B:ASP250 2.4 26.4 1.0 O B:HOH1023 2.4 32.4 1.0 O B:HOH1021 2.4 24.4 1.0 OE1 B:GLU251 2.6 25.9 1.0 CD B:GLU251 2.8 27.9 1.0 CG B:ASP250 3.4 25.3 1.0 CG B:ASN201 3.5 33.6 1.0 CB B:ASP250 4.0 22.9 1.0 O B:HOH407 4.0 25.9 1.0 O B:HOH874 4.3 37.6 1.0 CB B:ASN201 4.3 28.8 1.0 OE2 B:GLU225 4.3 23.8 1.0 OD1 B:ASP250 4.3 23.8 1.0 CG B:GLU251 4.3 26.9 1.0 ND2 B:ASN201 4.4 34.0 1.0 OD2 B:ASP199 4.5 29.4 1.0 CA B:ASN201 4.5 25.5 1.0 NZ B:LYS274 4.5 19.7 1.0 O B:HOH417 4.6 28.2 1.0 OD1 B:ASP199 4.6 22.7 1.0 N B:GLU251 4.9 22.1 1.0 CG B:ASP199 5.0 25.8 1.0

Magnesium binding site 3 out of 8 in the Crystal Structure of Muconate Lactonizing Enzyme From Klebsiella Pneumoniae


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 Muconate Lactonizing Enzyme From Klebsiella Pneumoniae within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg382 b:17.8 occ:1.00 O C:HOH1032 2.1 30.4 1.0 OD1 C:ASN201 2.2 33.0 1.0 OE2 C:GLU251 2.2 32.3 1.0 OD2 C:ASP250 2.3 26.6 1.0 O C:HOH1031 2.4 23.6 1.0 O C:HOH1033 2.4 31.4 1.0 OE1 C:GLU251 2.7 28.5 1.0 CD C:GLU251 2.8 30.5 1.0 CG C:ASN201 3.3 31.1 1.0 CG C:ASP250 3.4 23.7 1.0 CB C:ASP250 4.0 22.5 1.0 CB C:ASN201 4.2 28.4 1.0 ND2 C:ASN201 4.2 31.1 1.0 OE2 C:GLU225 4.3 26.6 1.0 O C:HOH406 4.3 30.7 1.0 CG C:GLU251 4.3 28.1 1.0 OD1 C:ASP250 4.3 24.3 1.0 OD2 C:ASP199 4.4 27.9 1.0 CA C:ASN201 4.4 26.7 1.0 OD1 C:ASP199 4.5 23.6 1.0 O C:HOH420 4.5 26.1 1.0 NZ C:LYS274 4.5 20.7 1.0 N C:GLU251 4.9 22.7 1.0 CG C:ASP199 4.9 25.1 1.0

Magnesium binding site 4 out of 8 in the Crystal Structure of Muconate Lactonizing Enzyme From Klebsiella Pneumoniae


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 Muconate Lactonizing Enzyme From Klebsiella Pneumoniae within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg382 b:19.6 occ:1.00 OD1 D:ASN201 2.2 32.9 1.0 O D:HOH1042 2.2 29.1 1.0 OE2 D:GLU251 2.3 33.1 1.0 O D:HOH1041 2.4 24.6 1.0 OD2 D:ASP250 2.5 26.4 1.0 O D:HOH1043 2.5 31.7 1.0 OE1 D:GLU251 2.8 25.3 1.0 CD D:GLU251 2.9 28.6 1.0 CG D:ASN201 3.3 32.3 1.0 CG D:ASP250 3.5 25.4 1.0 CB D:ASP250 4.0 23.1 1.0 CB D:ASN201 4.2 30.8 1.0 ND2 D:ASN201 4.2 31.1 1.0 OE2 D:GLU225 4.2 27.4 1.0 O D:HOH693 4.3 35.9 1.0 CG D:GLU251 4.4 27.5 1.0 CA D:ASN201 4.4 28.8 1.0 OD2 D:ASP199 4.4 28.9 1.0 OD1 D:ASP250 4.4 24.8 1.0 O D:HOH412 4.5 30.5 1.0 OD1 D:ASP199 4.5 27.0 1.0 NZ D:LYS274 4.6 21.4 1.0 N D:GLU251 4.9 22.3 1.0 CG D:ASP199 4.9 27.2 1.0

Magnesium binding site 5 out of 8 in the Crystal Structure of Muconate Lactonizing Enzyme From Klebsiella Pneumoniae


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 5 of Crystal Structure of Muconate Lactonizing Enzyme From Klebsiella Pneumoniae within 5.0Å range: probe atom residue distance (Å) B Occ E:Mg382 b:18.6 occ:1.00 OD1 E:ASN201 2.2 32.9 1.0 O E:HOH1052 2.2 24.7 1.0 OD2 E:ASP250 2.2 28.8 1.0 OE2 E:GLU251 2.2 29.9 1.0 O E:HOH1051 2.5 24.6 1.0 O E:HOH1053 2.5 30.2 1.0 OE1 E:GLU251 2.6 28.0 1.0 CD E:GLU251 2.7 28.8 1.0 CG E:ASP250 3.3 26.7 1.0 CG E:ASN201 3.3 32.2 1.0 CB E:ASP250 4.0 23.9 1.0 O E:HOH415 4.2 30.4 1.0 CB E:ASN201 4.2 30.0 1.0 CG E:GLU251 4.2 28.3 1.0 OD1 E:ASP250 4.2 26.0 1.0 OE2 E:GLU225 4.3 28.9 1.0 ND2 E:ASN201 4.3 32.2 1.0 CA E:ASN201 4.4 29.0 1.0 OD2 E:ASP199 4.5 31.3 1.0 NZ E:LYS274 4.5 27.1 1.0 O E:HOH507 4.5 26.7 1.0 OD1 E:ASP199 4.6 23.9 1.0 N E:GLU251 4.8 21.6 1.0

Magnesium binding site 6 out of 8 in the Crystal Structure of Muconate Lactonizing Enzyme From Klebsiella Pneumoniae


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 6 of Crystal Structure of Muconate Lactonizing Enzyme From Klebsiella Pneumoniae within 5.0Å range: probe atom residue distance (Å) B Occ F:Mg382 b:20.9 occ:1.00 OD1 F:ASN201 2.2 34.7 1.0 OE2 F:GLU251 2.2 30.3 1.0 O F:HOH1062 2.3 27.2 1.0 O F:HOH1063 2.4 31.7 1.0 OD2 F:ASP250 2.4 25.2 1.0 O F:HOH1061 2.4 28.3 1.0 OE1 F:GLU251 2.6 27.1 1.0 CD F:GLU251 2.7 27.9 1.0 CG F:ASN201 3.4 34.9 1.0 CG F:ASP250 3.5 24.7 1.0 CB F:ASP250 4.1 22.2 1.0 CB F:ASN201 4.2 30.9 1.0 O F:HOH732 4.2 33.4 1.0 CG F:GLU251 4.2 26.3 1.0 O F:HOH640 4.3 35.3 1.0 OE2 F:GLU225 4.3 26.4 1.0 ND2 F:ASN201 4.3 34.9 1.0 OD2 F:ASP199 4.4 27.3 1.0 CA F:ASN201 4.4 28.9 1.0 OD1 F:ASP250 4.4 24.1 1.0 OD1 F:ASP199 4.5 22.8 1.0 NZ F:LYS274 4.6 20.4 1.0 N F:GLU251 4.9 21.7 1.0 CG F:ASP199 4.9 25.7 1.0

Magnesium binding site 7 out of 8 in the Crystal Structure of Muconate Lactonizing Enzyme From Klebsiella Pneumoniae


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 7 of Crystal Structure of Muconate Lactonizing Enzyme From Klebsiella Pneumoniae within 5.0Å range: probe atom residue distance (Å) B Occ G:Mg382 b:21.0 occ:1.00 O G:HOH1072 2.2 30.3 1.0 OD1 G:ASN201 2.2 36.0 1.0 OD2 G:ASP250 2.3 28.6 1.0 OE2 G:GLU251 2.3 30.1 1.0 O G:HOH1071 2.3 29.6 1.0 O G:HOH1073 2.4 27.2 1.0 OE1 G:GLU251 2.7 28.6 1.0 CD G:GLU251 2.8 28.2 1.0 CG G:ASN201 3.4 33.8 1.0 CG G:ASP250 3.4 26.9 1.0 CB G:ASP250 4.0 24.6 1.0 CB G:ASN201 4.2 32.1 1.0 OE2 G:GLU225 4.3 28.7 1.0 ND2 G:ASN201 4.3 33.7 1.0 CG G:GLU251 4.3 27.3 1.0 OD1 G:ASP250 4.3 27.8 1.0 O G:HOH399 4.4 29.2 1.0 OD2 G:ASP199 4.4 29.5 1.0 CA G:ASN201 4.4 30.0 1.0 O G:HOH555 4.4 32.9 1.0 NZ G:LYS274 4.5 27.4 1.0 OD1 G:ASP199 4.6 26.4 1.0 N G:GLU251 4.9 22.6 1.0 CG G:ASP199 4.9 27.5 1.0

Magnesium binding site 8 out of 8 in the Crystal Structure of Muconate Lactonizing Enzyme From Klebsiella Pneumoniae


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 8 of Crystal Structure of Muconate Lactonizing Enzyme From Klebsiella Pneumoniae within 5.0Å range: probe atom residue distance (Å) B Occ H:Mg382 b:17.9 occ:1.00 OD1 H:ASN201 2.3 33.9 1.0 O H:HOH1081 2.3 21.5 1.0 OD2 H:ASP250 2.3 24.6 1.0 O H:HOH1082 2.3 29.1 1.0 OE2 H:GLU251 2.4 31.0 1.0 O H:HOH1083 2.6 33.1 1.0 OE1 H:GLU251 2.6 25.9 1.0 CD H:GLU251 2.8 28.6 1.0 CG H:ASN201 3.4 33.2 1.0 CG H:ASP250 3.4 25.2 1.0 CB H:ASP250 4.0 21.9 1.0 O H:HOH411 4.2 31.4 1.0 OE2 H:GLU225 4.2 26.0 1.0 CB H:ASN201 4.2 29.5 1.0 ND2 H:ASN201 4.3 31.4 1.0 OD2 H:ASP199 4.3 28.9 1.0 O H:HOH978 4.3 40.5 1.0 CG H:GLU251 4.4 28.1 1.0 OD1 H:ASP250 4.4 22.0 1.0 CA H:ASN201 4.4 28.0 1.0 NZ H:LYS274 4.5 19.6 1.0 OD1 H:ASP199 4.5 26.0 1.0 O H:HOH420 4.6 26.7 1.0 CG H:ASP199 4.9 28.2 1.0 N H:GLU251 4.9 22.3 1.0

A.A.Fedorov, E.V.Fedorov, M.J.Sauder, S.K.Burley, J.A.Gerlt, S.C.Almo. Crystal Structure of Muconate Lactonizing Enzyme From Klebsiella Pneumoniae To Be Published.