Manganese in PDB 2jlc: Crystal Structure of E.Coli Mend, 2-Succinyl-5-Enolpyruvyl- 6-Hydroxy-3-Cyclohexadiene-1-Carboxylate Synthase - Native Protein

All present enzymatic activity of Crystal Structure of E.Coli Mend, 2-Succinyl-5-Enolpyruvyl- 6-Hydroxy-3-Cyclohexadiene-1-Carboxylate Synthase - Native Protein:
2.2.1.9;

The structure of Crystal Structure of E.Coli Mend, 2-Succinyl-5-Enolpyruvyl- 6-Hydroxy-3-Cyclohexadiene-1-Carboxylate Synthase - Native Protein, PDB code: 2jlc was solved by A.Dawson, P.K.Fyfe, W.N.Hunter, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	92.85 / 2.50
Space group	P 65 2 2
Cell size a, b, c (Å), α, β, γ (°)	93.425, 93.425, 465.172, 90.00, 90.00, 120.00
R / Rfree (%)	21.3 / 29.3

The binding sites of Manganese atom in the Crystal Structure of E.Coli Mend, 2-Succinyl-5-Enolpyruvyl- 6-Hydroxy-3-Cyclohexadiene-1-Carboxylate Synthase - Native Protein (pdb code 2jlc). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the Crystal Structure of E.Coli Mend, 2-Succinyl-5-Enolpyruvyl- 6-Hydroxy-3-Cyclohexadiene-1-Carboxylate Synthase - Native Protein, PDB code: 2jlc:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the Crystal Structure of E.Coli Mend, 2-Succinyl-5-Enolpyruvyl- 6-Hydroxy-3-Cyclohexadiene-1-Carboxylate Synthase - Native Protein


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Crystal Structure of E.Coli Mend, 2-Succinyl-5-Enolpyruvyl- 6-Hydroxy-3-Cyclohexadiene-1-Carboxylate Synthase - Native Protein within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn602 b:23.2 occ:1.00 O3B A:TPP601 2.0 24.9 1.0 O A:GLY471 2.1 31.0 1.0 O2A A:TPP601 2.2 22.2 1.0 OD1 A:ASN469 2.2 28.0 1.0 OD1 A:ASP442 2.3 25.2 1.0 O A:HOH2115 2.3 27.6 1.0 PA A:TPP601 3.1 23.3 1.0 PB A:TPP601 3.1 21.6 1.0 CG A:ASP442 3.2 24.5 1.0 CG A:ASN469 3.2 28.2 1.0 C A:GLY471 3.2 31.0 1.0 O3A A:TPP601 3.4 21.5 1.0 ND2 A:ASN469 3.6 29.1 1.0 N A:ASP442 3.7 23.5 1.0 OD2 A:ASP442 3.7 24.9 1.0 O7 A:TPP601 3.8 21.1 1.0 N A:GLN473 4.0 29.7 1.0 N A:GLY471 4.0 30.8 1.0 N A:GLY472 4.1 30.6 1.0 CA A:GLY472 4.1 30.4 1.0 O1B A:TPP601 4.2 23.5 1.0 CA A:GLY471 4.2 30.6 1.0 O2B A:TPP601 4.2 23.9 1.0 CB A:ASP442 4.3 23.3 1.0 N A:ASN469 4.3 27.5 1.0 O A:VAL467 4.4 25.0 1.0 CA A:ASP442 4.4 23.2 1.0 N A:LEU443 4.5 22.4 1.0 CB A:ASN469 4.6 27.8 1.0 O1A A:TPP601 4.6 18.4 1.0 C A:GLY472 4.6 29.9 1.0 C A:GLY441 4.6 23.7 1.0 N A:ASN470 4.6 29.1 1.0 CA A:GLY441 4.7 23.7 1.0 C A:ASN469 4.7 28.5 1.0 CG A:GLN473 4.8 28.5 1.0 CA A:ASN469 4.8 27.8 1.0 C A:ASN470 4.9 30.3 1.0 CG A:LEU443 4.9 22.4 1.0 CB A:GLN473 5.0 28.9 1.0

Manganese binding site 2 out of 2 in the Crystal Structure of E.Coli Mend, 2-Succinyl-5-Enolpyruvyl- 6-Hydroxy-3-Cyclohexadiene-1-Carboxylate Synthase - Native Protein


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Crystal Structure of E.Coli Mend, 2-Succinyl-5-Enolpyruvyl- 6-Hydroxy-3-Cyclohexadiene-1-Carboxylate Synthase - Native Protein within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn602 b:26.4 occ:1.00 O B:HOH2131 1.9 25.1 1.0 O B:GLY471 2.1 25.3 1.0 OD1 B:ASN469 2.1 29.6 1.0 OD1 B:ASP442 2.1 21.9 1.0 O1B B:TPP601 2.2 25.2 1.0 O1A B:TPP601 2.3 24.5 1.0 O3A B:TPP601 3.1 23.5 1.0 CG B:ASP442 3.2 21.7 1.0 CG B:ASN469 3.2 27.7 1.0 PB B:TPP601 3.2 25.8 1.0 C B:GLY471 3.3 25.6 1.0 PA B:TPP601 3.3 23.9 1.0 ND2 B:ASN469 3.6 24.5 1.0 OD2 B:ASP442 3.6 22.3 1.0 N B:ASP442 3.8 20.6 1.0 O7 B:TPP601 4.1 24.5 1.0 N B:GLY472 4.1 25.5 1.0 CA B:GLY472 4.1 26.2 1.0 N B:GLY471 4.2 27.3 1.0 N B:GLN473 4.2 27.5 1.0 O2B B:TPP601 4.3 25.8 1.0 N B:ASN469 4.3 26.6 1.0 CA B:GLY471 4.3 26.3 1.0 O3B B:TPP601 4.3 23.1 1.0 O B:VAL467 4.3 24.5 1.0 CB B:ASP442 4.4 21.5 1.0 O2A B:TPP601 4.5 22.0 1.0 CB B:ASN469 4.5 26.7 1.0 N B:LEU443 4.5 22.0 1.0 CA B:ASP442 4.6 21.2 1.0 CA B:GLY441 4.6 20.4 1.0 C B:GLY441 4.6 20.7 1.0 C B:ASN469 4.7 27.5 1.0 CA B:ASN469 4.7 27.1 1.0 C B:GLY472 4.7 27.2 1.0 CG B:GLN473 4.7 28.9 1.0 O B:ASN469 4.9 27.5 1.0 N B:ASN470 4.9 27.9 1.0

A.Dawson, P.K.Fyfe, W.N.Hunter. Specificity and Reactivity in Menaquinone Biosynthesis: the Structure of Escherichia Coli Mend (2-Succinyl-5-Enolpyruvyl-6-Hydroxy-3- Cyclohexadiene-1-Carboxylate Synthase). J.Mol.Biol. V. 384 1353 2008.
ISSN: ISSN 0022-2836
PubMed: 18983854
DOI: 10.1016/J.JMB.2008.10.048