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Mercury in PDB 3k4o: Crystal Structure of Isopentenyl Phosphate Kinase From Methanocaldococcus Jannaschii

Protein crystallography data

The structure of Crystal Structure of Isopentenyl Phosphate Kinase From Methanocaldococcus Jannaschii, PDB code: 3k4o was solved by N.Dellas, J.P.Noel, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 50.00 / 2.05
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 76.200, 99.700, 87.700, 90.00, 90.00, 90.00
R / Rfree (%) 22.3 / 24.1

Mercury Binding Sites:

The binding sites of Mercury atom in the Crystal Structure of Isopentenyl Phosphate Kinase From Methanocaldococcus Jannaschii (pdb code 3k4o). This binding sites where shown within 5.0 Angstroms radius around Mercury atom.
In total 2 binding sites of Mercury where determined in the Crystal Structure of Isopentenyl Phosphate Kinase From Methanocaldococcus Jannaschii, PDB code: 3k4o:
Jump to Mercury binding site number: 1; 2;

Mercury binding site 1 out of 2 in 3k4o

Go back to Mercury Binding Sites List in 3k4o
Mercury binding site 1 out of 2 in the Crystal Structure of Isopentenyl Phosphate Kinase From Methanocaldococcus Jannaschii


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 1 of Crystal Structure of Isopentenyl Phosphate Kinase From Methanocaldococcus Jannaschii within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Hg800

b:41.4
occ:0.63
SG A:CYS230 2.4 44.5 1.0
O A:ASN228 3.1 39.6 1.0
CB A:CYS230 3.2 39.5 1.0
CA A:CYS230 3.5 36.6 1.0
O A:LYS229 3.6 40.2 1.0
O A:ALA172 3.7 35.0 1.0
N A:CYS230 3.8 39.2 1.0
C A:LYS229 3.9 41.3 1.0
O A:ALA167 3.9 34.3 1.0
C A:ASN228 4.1 40.8 1.0
C A:ALA167 4.3 35.5 1.0
CB A:ASN228 4.3 44.4 1.0
CB A:ALA167 4.5 32.8 1.0
N A:ALA172 4.6 39.7 1.0
N A:ASN168 4.7 38.9 1.0
C A:ALA172 4.8 36.2 1.0
CA A:ASN168 4.8 41.2 1.0
CA A:ASN228 4.9 41.5 1.0
C A:CYS230 4.9 34.3 1.0
N A:LYS229 4.9 41.0 1.0
CA A:ALA167 4.9 35.1 1.0
CA A:LYS171 5.0 43.4 1.0
CA A:LYS229 5.0 42.1 1.0

Mercury binding site 2 out of 2 in 3k4o

Go back to Mercury Binding Sites List in 3k4o
Mercury binding site 2 out of 2 in the Crystal Structure of Isopentenyl Phosphate Kinase From Methanocaldococcus Jannaschii


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 2 of Crystal Structure of Isopentenyl Phosphate Kinase From Methanocaldococcus Jannaschii within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Hg800

b:58.6
occ:0.63
SG B:CYS230 2.6 64.4 1.0
O B:ASN228 3.2 73.7 1.0
CA B:CYS230 3.3 65.7 1.0
CB B:CYS230 3.3 65.3 1.0
N B:CYS230 3.7 68.1 1.0
O B:ALA167 4.0 49.8 1.0
C B:ALA167 4.1 48.0 1.0
C B:LYS229 4.2 70.7 1.0
CB B:ALA167 4.2 46.2 1.0
O B:LYS229 4.2 70.9 1.0
N B:ASN168 4.2 49.2 1.0
C B:ASN228 4.2 73.5 1.0
CA B:ASN168 4.3 50.6 1.0
CB B:ASN228 4.4 73.1 1.0
C B:CYS230 4.6 64.5 1.0
O B:ALA172 4.8 52.4 1.0
CA B:ALA167 4.8 46.1 1.0
CB B:ASN168 4.8 51.0 1.0
N B:ARG231 4.9 62.8 1.0
CA B:ASN228 5.0 74.2 1.0

Reference:

N.Dellas, J.P.Noel. Mutation of Archaeal Isopentenyl Phosphate Kinase Highlights Mechanism and Guides Phosphorylation of Additional Isoprenoid Monophosphates. Acs Chem.Biol. V. 5 589 2010.
ISSN: ISSN 1554-8929
PubMed: 20392112
DOI: 10.1021/CB1000313
Page generated: Sun Dec 13 19:09:42 2020

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