Potassium in PDB 3ik4: Crystal Structure of Mandelate Racemase/Muconate Lactonizing Protein From Herpetosiphon Aurantiacus

The structure of Crystal Structure of Mandelate Racemase/Muconate Lactonizing Protein From Herpetosiphon Aurantiacus, PDB code: 3ik4 was solved by Y.Patskovsky, R.Toro, M.Dickey, M.Iizuka, J.M.Sauder, J.A.Gerlt, S.K.Burley, S.C.Almo, New York Sgx Research Center For Structuralgenomics (Nysgxrc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.10
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	84.026, 93.344, 85.914, 90.00, 112.60, 90.00
R / Rfree (%)	21.7 / 27.5

The binding sites of Potassium atom in the Crystal Structure of Mandelate Racemase/Muconate Lactonizing Protein From Herpetosiphon Aurantiacus (pdb code 3ik4). This binding sites where shown within 5.0 Angstroms radius around Potassium atom.
In total 4 binding sites of Potassium where determined in the Crystal Structure of Mandelate Racemase/Muconate Lactonizing Protein From Herpetosiphon Aurantiacus, PDB code: 3ik4:
Jump to Potassium binding site number: 1; 2; 3; 4;

Potassium binding site 1 out of 4 in the Crystal Structure of Mandelate Racemase/Muconate Lactonizing Protein From Herpetosiphon Aurantiacus


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 1 of Crystal Structure of Mandelate Racemase/Muconate Lactonizing Protein From Herpetosiphon Aurantiacus within 5.0Å range: probe atom residue distance (Å) B Occ A:K364 b:37.8 occ:0.50 OD2 A:ASP244 3.0 35.9 1.0 O A:HOH453 3.0 30.7 1.0 OE2 A:GLU219 3.0 39.5 1.0 OD2 A:ASP191 3.2 51.4 1.0 NZ A:LYS268 3.2 32.1 1.0 O A:HOH449 3.5 41.7 1.0 O A:HOH387 3.5 36.2 1.0 NZ A:LYS161 3.7 58.8 1.0 CD A:GLU219 4.0 39.6 1.0 CG A:ASP191 4.1 42.5 1.0 CG A:ASP244 4.1 31.1 1.0 CE A:LYS268 4.2 26.9 1.0 O A:HOH411 4.2 28.7 1.0 OE1 A:GLU219 4.3 40.8 1.0 OD1 A:ASP191 4.4 37.0 1.0 ND2 A:ASN266 4.6 26.6 1.0 CE A:LYS161 4.7 51.1 1.0 CB A:ASP244 4.9 19.2 1.0 OD1 A:ASP244 4.9 30.8 1.0

Potassium binding site 2 out of 4 in the Crystal Structure of Mandelate Racemase/Muconate Lactonizing Protein From Herpetosiphon Aurantiacus


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 2 of Crystal Structure of Mandelate Racemase/Muconate Lactonizing Protein From Herpetosiphon Aurantiacus within 5.0Å range: probe atom residue distance (Å) B Occ B:K365 b:47.4 occ:0.50 OD1 B:ASP191 3.0 28.7 1.0 OE1 B:GLU245 3.1 31.4 1.0 OD2 B:ASP244 3.3 40.0 1.0 OE2 B:GLU219 3.8 50.9 1.0 CD B:GLU245 3.9 64.3 1.0 OE2 B:GLU245 3.9 41.4 1.0 CA B:ASN193 3.9 32.5 1.0 OD1 B:ASN193 4.0 55.2 1.0 CG B:ASP191 4.0 39.2 1.0 CB B:GLN220 4.1 24.3 1.0 CG B:ASP244 4.2 34.5 1.0 OD2 B:ASP191 4.2 47.1 1.0 CB B:ASP244 4.2 26.6 1.0 N B:ASN193 4.2 31.8 1.0 CD B:GLU219 4.5 44.9 1.0 NZ B:LYS163 4.5 56.2 1.0 O B:HOH452 4.5 22.1 1.0 CG B:GLN220 4.6 26.2 1.0 CG B:GLU219 4.7 38.6 1.0 O B:HOH455 4.7 45.2 1.0 O B:GLN220 4.7 31.4 1.0 C B:ASN193 4.7 31.5 1.0 CB B:ASN193 4.8 40.8 1.0 CG B:ASN193 4.8 49.3 1.0 N B:CYS194 4.9 29.7 1.0

Potassium binding site 3 out of 4 in the Crystal Structure of Mandelate Racemase/Muconate Lactonizing Protein From Herpetosiphon Aurantiacus


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 3 of Crystal Structure of Mandelate Racemase/Muconate Lactonizing Protein From Herpetosiphon Aurantiacus within 5.0Å range: probe atom residue distance (Å) B Occ C:K365 b:48.5 occ:0.50 O C:HOH374 2.7 49.5 1.0 OD2 C:ASP244 2.9 49.6 1.0 O C:HOH391 3.3 35.9 1.0 OD1 C:ASN193 3.4 58.1 1.0 OE2 C:GLU245 3.4 62.4 1.0 OE1 C:GLU245 3.9 58.8 1.0 OD2 C:ASP191 3.9 43.0 1.0 CD C:GLU245 4.0 71.7 1.0 CG C:ASP244 4.1 27.2 1.0 NZ C:LYS268 4.1 27.5 1.0 OD1 C:ASP191 4.4 32.5 1.0 CG C:ASN193 4.4 59.4 1.0 NZ C:LYS163 4.5 57.6 1.0 CG C:ASP191 4.6 40.2 1.0 OE2 C:GLU219 4.7 36.3 1.0 CB C:ASP244 4.7 35.0 1.0 OD1 C:ASP244 5.0 47.8 1.0

Potassium binding site 4 out of 4 in the Crystal Structure of Mandelate Racemase/Muconate Lactonizing Protein From Herpetosiphon Aurantiacus


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 4 of Crystal Structure of Mandelate Racemase/Muconate Lactonizing Protein From Herpetosiphon Aurantiacus within 5.0Å range: probe atom residue distance (Å) B Occ D:K364 b:67.1 occ:0.50 OD2 D:ASP244 2.6 28.6 1.0 OE1 D:GLU245 3.0 33.4 1.0 OE2 D:GLU219 3.3 58.6 1.0 OD1 D:ASN193 3.4 61.7 1.0 OE2 D:GLU245 3.5 79.0 1.0 CG D:ASP244 3.7 43.2 1.0 CD D:GLU245 3.7 54.7 1.0 OD1 D:ASP191 3.7 37.7 1.0 OD2 D:ASP191 3.9 47.3 1.0 CB D:ASP244 4.0 25.8 1.0 CG D:ASP191 4.2 37.3 1.0 CG D:ASN193 4.3 56.8 1.0 NZ D:LYS268 4.4 54.8 1.0 CD D:GLU219 4.4 57.0 1.0 CB D:GLN220 4.6 33.0 1.0 CA D:ASN193 4.7 46.3 1.0 CB D:ASN193 4.7 51.1 1.0 OD1 D:ASP244 4.8 56.8 1.0 CG D:GLN220 4.9 32.3 1.0

T.Lukk, A.Sakai, C.Kalyanaraman, S.D.Brown, H.J.Imker, L.Song, A.A.Fedorov, E.V.Fedorov, R.Toro, B.Hillerich, R.Seidel, Y.Patskovsky, M.W.Vetting, S.K.Nair, P.C.Babbitt, S.C.Almo, J.A.Gerlt, M.P.Jacobson. Homology Models Guide Discovery of Diverse Enzyme Specificities Among Dipeptide Epimerases in the Enolase Superfamily. Proc.Natl.Acad.Sci.Usa V. 109 4122 2012.
ISSN: ISSN 0027-8424
PubMed: 22392983
DOI: 10.1073/PNAS.1112081109