Chlorine in PDB 2vbs: Riboflavin Kinase MJ0056 From Methanocaldococcus Jannaschii in Complex with PO4

All present enzymatic activity of Riboflavin Kinase MJ0056 From Methanocaldococcus Jannaschii in Complex with PO4:
2.7.1.161;

The structure of Riboflavin Kinase MJ0056 From Methanocaldococcus Jannaschii in Complex with PO4, PDB code: 2vbs was solved by M.D.Hartmann, S.Djuranovic, M.Ammelburg, J.Martin, A.N.Lupas, K.Zeth, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.99 / 3.0
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	77.700, 77.700, 107.070, 90.00, 90.00, 90.00
R / Rfree (%)	23 / 28.2

The structure of Riboflavin Kinase MJ0056 From Methanocaldococcus Jannaschii in Complex with PO4 also contains other interesting chemical elements:

Zinc

(Zn)

1 atom

The binding sites of Chlorine atom in the Riboflavin Kinase MJ0056 From Methanocaldococcus Jannaschii in Complex with PO4 (pdb code 2vbs). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Riboflavin Kinase MJ0056 From Methanocaldococcus Jannaschii in Complex with PO4, PDB code: 2vbs:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Riboflavin Kinase MJ0056 From Methanocaldococcus Jannaschii in Complex with PO4


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Riboflavin Kinase MJ0056 From Methanocaldococcus Jannaschii in Complex with PO4 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1136 b:71.0 occ:1.00 N A:LEU114 3.3 62.2 1.0 CA A:LYS113 3.6 61.5 1.0 CG A:LYS113 3.7 61.1 1.0 C A:LYS113 3.9 61.8 1.0 N A:ARG115 3.9 64.1 1.0 N A:LEU44 3.9 52.1 1.0 CB A:LEU44 3.9 51.8 1.0 CD2 A:TYR40 4.0 60.0 1.0 CE2 A:TYR40 4.1 59.6 1.0 CB A:LYS113 4.1 61.4 1.0 CB A:LEU114 4.2 62.6 1.0 C A:THR43 4.3 52.6 1.0 CA A:LEU114 4.3 62.6 1.0 CA A:LEU44 4.3 51.9 1.0 CD2 A:LEU44 4.5 51.7 1.0 O A:MET112 4.5 60.7 1.0 CB A:ARG115 4.5 64.8 1.0 C A:LEU114 4.6 63.2 1.0 CG A:LEU44 4.7 51.6 1.0 O A:THR43 4.7 52.1 1.0 N A:THR43 4.7 54.1 1.0 N A:LYS113 4.7 61.1 1.0 CA A:THR43 4.8 53.3 1.0 CG A:LEU114 4.8 62.4 1.0 CA A:ARG115 4.8 64.8 1.0 CD A:LYS113 4.9 61.6 1.0 C A:GLY42 4.9 55.1 1.0 O A:GLY42 4.9 55.4 1.0 O A:LYS113 4.9 61.4 1.0

Chlorine binding site 2 out of 2 in the Riboflavin Kinase MJ0056 From Methanocaldococcus Jannaschii in Complex with PO4


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Riboflavin Kinase MJ0056 From Methanocaldococcus Jannaschii in Complex with PO4 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1137 b:62.7 occ:1.00 O A:HOH2005 3.1 32.1 1.0 O A:THR43 3.3 52.1 1.0 OD1 A:ASN45 3.3 55.8 1.0 N A:GLY14 3.7 54.4 1.0 NH2 A:ARG115 3.9 62.6 1.0 CG A:ASN45 4.0 53.1 1.0 CA A:SER13 4.0 53.2 1.0 O A:GLY14 4.2 55.9 1.0 C A:SER13 4.4 53.8 1.0 CB A:SER13 4.4 53.1 1.0 O A:VAL12 4.4 52.5 1.0 C A:THR43 4.5 52.6 1.0 ND2 A:ASN45 4.5 53.0 1.0 NE A:ARG115 4.7 64.0 1.0 CA A:GLY14 4.7 55.1 1.0 CZ A:ARG115 4.7 63.7 1.0 OG1 A:THR43 4.7 53.9 1.0 C A:GLY14 4.7 56.1 1.0 N A:ASN45 4.8 52.2 1.0 OG A:SER13 4.8 52.8 1.0 CB A:ASN45 4.9 52.4 1.0

M.Ammelburg, M.D.Hartmann, S.Djuranovic, V.Alva, K.K.Koretke, J.Martin, G.Sauer, V.Truffault, K.Zeth, A.N.Lupas, M.Coles. A Ctp-Dependent Archaeal Riboflavin Kinase Forms A Bridge in the Evolution of Cradle-Loop Barrels. Structure V. 15 1577 2007.
ISSN: ISSN 0969-2126
PubMed: 18073108
DOI: 10.1016/J.STR.2007.09.027