Chlorine in PDB 4dhd: Crystal Structure of Isoprenoid Synthase A3MSH1 (Target Efi-501992) From Pyrobaculum Calidifontis

The structure of Crystal Structure of Isoprenoid Synthase A3MSH1 (Target Efi-501992) From Pyrobaculum Calidifontis, PDB code: 4dhd 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, C.D.Poulter, 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 / 1.65
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	61.401, 89.269, 149.542, 90.00, 90.00, 90.00
R / Rfree (%)	18.1 / 21.3

The binding sites of Chlorine atom in the Crystal Structure of Isoprenoid Synthase A3MSH1 (Target Efi-501992) From Pyrobaculum Calidifontis (pdb code 4dhd). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Crystal Structure of Isoprenoid Synthase A3MSH1 (Target Efi-501992) From Pyrobaculum Calidifontis, PDB code: 4dhd:

Chlorine binding site 1 out of 1 in the Crystal Structure of Isoprenoid Synthase A3MSH1 (Target Efi-501992) From Pyrobaculum Calidifontis


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Isoprenoid Synthase A3MSH1 (Target Efi-501992) From Pyrobaculum Calidifontis within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl402 b:32.5 occ:1.00 N A:TRP62 3.1 17.5 1.0 N A:ARG63 3.2 19.1 1.0 O A:HOH613 3.3 32.5 1.0 CD1 A:TRP62 3.6 22.1 1.0 CA A:GLN61 3.6 17.7 1.0 CG A:ARG63 3.6 22.8 1.0 CB A:ARG63 3.7 19.8 1.0 NH1 A:ARG63 3.7 49.7 1.0 CB A:GLN61 3.8 20.7 1.0 CD A:ARG63 3.8 24.1 1.0 C A:GLN61 3.9 15.9 1.0 NE1 A:TRP62 3.9 21.4 1.0 CG A:TRP62 4.0 22.4 1.0 CA A:ARG63 4.1 18.9 1.0 CA A:TRP62 4.1 17.9 1.0 C A:TRP62 4.1 23.9 1.0 CG A:GLN61 4.1 26.5 1.0 CD A:PRO64 4.3 22.2 1.0 CE2 A:TRP62 4.4 22.0 1.0 CD2 A:TRP62 4.5 21.2 1.0 CB A:TRP62 4.6 19.7 1.0 CZ A:ARG63 4.7 37.0 1.0 NE A:ARG63 4.7 31.2 1.0 O A:GLY60 4.9 20.5 1.0 CD A:GLN61 4.9 32.6 1.0 N A:GLN61 5.0 20.1 1.0

F.H.Wallrapp, J.J.Pan, G.Ramamoorthy, D.E.Almonacid, B.S.Hillerich, R.Seidel, Y.Patskovsky, P.C.Babbitt, S.C.Almo, M.P.Jacobson, C.D.Poulter. Prediction of Function For the Polyprenyl Transferase Subgroup in the Isoprenoid Synthase Superfamily. Proc.Natl.Acad.Sci.Usa V. 110 E1196 2013.
ISSN: ISSN 0027-8424
PubMed: 23493556
DOI: 10.1073/PNAS.1300632110