Chlorine in PDB 6f3p: Crystal Structure of S-Adenosyl-L-Homocysteine Hydrolase From Pseudomonas Aeruginosa in Complex with 3'-Deoxyadenosine and K+ Cation

Enzymatic activity of Crystal Structure of S-Adenosyl-L-Homocysteine Hydrolase From Pseudomonas Aeruginosa in Complex with 3'-Deoxyadenosine and K+ Cation

All present enzymatic activity of Crystal Structure of S-Adenosyl-L-Homocysteine Hydrolase From Pseudomonas Aeruginosa in Complex with 3'-Deoxyadenosine and K+ Cation:
3.3.1.1;

Protein crystallography data

The structure of Crystal Structure of S-Adenosyl-L-Homocysteine Hydrolase From Pseudomonas Aeruginosa in Complex with 3'-Deoxyadenosine and K+ Cation, PDB code: 6f3p was solved by J.Czyrko, K.Brzezinski, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 30.00 / 1.35
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 142.900, 85.740, 112.010, 90.00, 122.20, 90.00
R / Rfree (%) 10.1 / 12.7

Other elements in 6f3p:

The structure of Crystal Structure of S-Adenosyl-L-Homocysteine Hydrolase From Pseudomonas Aeruginosa in Complex with 3'-Deoxyadenosine and K+ Cation also contains other interesting chemical elements:

Potassium (K) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of S-Adenosyl-L-Homocysteine Hydrolase From Pseudomonas Aeruginosa in Complex with 3'-Deoxyadenosine and K+ Cation (pdb code 6f3p). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of S-Adenosyl-L-Homocysteine Hydrolase From Pseudomonas Aeruginosa in Complex with 3'-Deoxyadenosine and K+ Cation, PDB code: 6f3p:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 6f3p

Go back to Chlorine Binding Sites List in 6f3p
Chlorine binding site 1 out of 4 in the Crystal Structure of S-Adenosyl-L-Homocysteine Hydrolase From Pseudomonas Aeruginosa in Complex with 3'-Deoxyadenosine and K+ Cation


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 S-Adenosyl-L-Homocysteine Hydrolase From Pseudomonas Aeruginosa in Complex with 3'-Deoxyadenosine and K+ Cation within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl504

b:17.6
occ:0.45
CL A:CL504 0.0 17.6 0.5
CL A:CL504 0.9 15.9 0.5
N A:THR166 3.1 19.0 1.0
NZ A:LYS194 3.1 20.1 1.0
OG1 A:THR166 3.1 18.9 0.5
O2D A:NAD501 3.1 16.3 1.0
C6N A:NAD501 3.3 14.2 1.0
CA A:THR165 3.3 16.1 1.0
OD1 A:ASN189 3.4 20.7 1.0
ND2 A:ASN199 3.5 16.2 1.0
C2D A:NAD501 3.5 14.8 1.0
CB A:THR165 3.6 17.6 1.0
C A:THR165 3.7 18.5 1.0
CB A:THR166 3.7 18.8 0.5
C5N A:NAD501 3.9 15.3 1.0
CG2 A:THR166 3.9 15.9 0.5
N1N A:NAD501 4.0 14.4 1.0
CG2 A:THR165 4.0 19.3 1.0
CA A:THR166 4.1 17.4 0.5
CG A:ASN189 4.1 19.4 1.0
O A:GLU164 4.1 17.6 1.0
CG A:ASN199 4.2 15.4 1.0
CA A:THR166 4.2 23.5 0.5
OD1 A:ASN199 4.2 15.8 1.0
CB A:THR166 4.3 21.6 0.5
C1D A:NAD501 4.3 14.9 1.0
CE A:LYS194 4.5 17.3 1.0
C3' A:3AD502 4.5 16.7 1.0
N A:THR165 4.5 16.4 1.0
C A:GLU164 4.7 16.4 1.0
ND2 A:ASN189 4.8 22.0 1.0
O1N A:NAD501 4.9 15.9 1.0
CB A:ASN189 4.9 16.5 1.0
C3D A:NAD501 4.9 14.7 1.0
O A:THR165 4.9 18.3 1.0
OG1 A:THR165 5.0 19.7 1.0
O5D A:NAD501 5.0 14.2 1.0

Chlorine binding site 2 out of 4 in 6f3p

Go back to Chlorine Binding Sites List in 6f3p
Chlorine binding site 2 out of 4 in the Crystal Structure of S-Adenosyl-L-Homocysteine Hydrolase From Pseudomonas Aeruginosa in Complex with 3'-Deoxyadenosine and K+ Cation


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of S-Adenosyl-L-Homocysteine Hydrolase From Pseudomonas Aeruginosa in Complex with 3'-Deoxyadenosine and K+ Cation within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl504

b:15.9
occ:0.45
CL A:CL504 0.0 15.9 0.5
CL A:CL504 0.9 17.6 0.5
O2D A:NAD501 3.0 16.3 1.0
C6N A:NAD501 3.2 14.2 1.0
NZ A:LYS194 3.2 20.1 1.0
CA A:THR165 3.3 16.1 1.0
CB A:THR165 3.3 17.6 1.0
CG2 A:THR165 3.4 19.3 1.0
C2D A:NAD501 3.6 14.8 1.0
N A:THR166 3.6 19.0 1.0
C5N A:NAD501 3.7 15.3 1.0
N1N A:NAD501 3.7 14.4 1.0
C3' A:3AD502 3.7 16.7 1.0
C A:THR165 4.0 18.5 1.0
OG1 A:THR166 4.0 18.9 0.5
OD1 A:ASN189 4.1 20.7 1.0
ND2 A:ASN199 4.1 16.2 1.0
O A:GLU164 4.1 17.6 1.0
C4' A:3AD502 4.1 14.2 1.0
C1D A:NAD501 4.1 14.9 1.0
C5' A:3AD502 4.2 15.3 1.0
N A:THR165 4.4 16.4 1.0
CB A:THR166 4.5 18.8 0.5
CE A:LYS194 4.5 17.3 1.0
CG2 A:THR166 4.6 15.9 0.5
OD1 A:ASN199 4.6 15.8 1.0
C2N A:NAD501 4.6 15.1 1.0
C A:GLU164 4.6 16.4 1.0
C4N A:NAD501 4.6 14.7 1.0
CG A:ASN199 4.7 15.4 1.0
CA A:THR166 4.7 17.4 0.5
OG1 A:THR165 4.7 19.7 1.0
O2' A:3AD502 4.8 15.7 1.0
C2' A:3AD502 4.9 13.8 1.0
CA A:THR166 4.9 23.5 0.5
CG A:ASN189 4.9 19.4 1.0
C3N A:NAD501 5.0 13.7 1.0

Chlorine binding site 3 out of 4 in 6f3p

Go back to Chlorine Binding Sites List in 6f3p
Chlorine binding site 3 out of 4 in the Crystal Structure of S-Adenosyl-L-Homocysteine Hydrolase From Pseudomonas Aeruginosa in Complex with 3'-Deoxyadenosine and K+ Cation


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of S-Adenosyl-L-Homocysteine Hydrolase From Pseudomonas Aeruginosa in Complex with 3'-Deoxyadenosine and K+ Cation within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl504

b:15.4
occ:0.50
CL C:CL504 0.0 15.4 0.5
CL C:CL504 0.9 17.1 0.5
N C:THR166 3.1 15.8 1.0
O2D C:NAD501 3.1 15.0 1.0
NZ C:LYS194 3.1 16.9 1.0
OG1 C:THR166 3.2 21.0 0.5
C6N C:NAD501 3.3 11.9 1.0
CA C:THR165 3.3 13.4 1.0
OD1 C:ASN189 3.4 17.3 1.0
ND2 C:ASN199 3.5 14.2 1.0
C2D C:NAD501 3.5 13.4 1.0
CB C:THR165 3.6 13.7 1.0
C C:THR165 3.7 14.7 1.0
CB C:THR166 3.9 18.5 0.5
C5N C:NAD501 3.9 12.8 1.0
CG2 C:THR166 4.0 13.1 0.5
CG2 C:THR165 4.0 15.7 1.0
N1N C:NAD501 4.0 13.2 1.0
O C:GLU164 4.1 14.8 1.0
CG C:ASN189 4.1 15.7 1.0
CA C:THR166 4.1 15.4 0.5
CG C:ASN199 4.2 13.9 1.0
OD1 C:ASN199 4.3 14.4 1.0
CA C:THR166 4.3 17.5 0.5
C1D C:NAD501 4.3 14.1 1.0
CB C:THR166 4.4 15.6 0.5
C3' C:3AD502 4.5 15.3 1.0
N C:THR165 4.5 12.9 1.0
CE C:LYS194 4.5 13.9 1.0
C C:GLU164 4.7 13.8 1.0
ND2 C:ASN189 4.8 18.9 1.0
C3D C:NAD501 4.9 13.8 1.0
CB C:ASN189 4.9 14.4 1.0
O1N C:NAD501 4.9 15.1 1.0
OG1 C:THR165 4.9 16.1 1.0
O C:THR165 4.9 15.4 1.0
O5D C:NAD501 5.0 13.4 1.0

Chlorine binding site 4 out of 4 in 6f3p

Go back to Chlorine Binding Sites List in 6f3p
Chlorine binding site 4 out of 4 in the Crystal Structure of S-Adenosyl-L-Homocysteine Hydrolase From Pseudomonas Aeruginosa in Complex with 3'-Deoxyadenosine and K+ Cation


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of S-Adenosyl-L-Homocysteine Hydrolase From Pseudomonas Aeruginosa in Complex with 3'-Deoxyadenosine and K+ Cation within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl504

b:17.1
occ:0.50
CL C:CL504 0.0 17.1 0.5
CL C:CL504 0.9 15.4 0.5
O2D C:NAD501 3.0 15.0 1.0
C6N C:NAD501 3.1 11.9 1.0
NZ C:LYS194 3.2 16.9 1.0
CA C:THR165 3.3 13.4 1.0
CB C:THR165 3.3 13.7 1.0
CG2 C:THR165 3.4 15.7 1.0
C2D C:NAD501 3.5 13.4 1.0
C3' C:3AD502 3.6 15.3 1.0
C5N C:NAD501 3.6 12.8 1.0
N C:THR166 3.7 15.8 1.0
N1N C:NAD501 3.7 13.2 1.0
C C:THR165 4.0 14.7 1.0
O C:GLU164 4.1 14.8 1.0
OG1 C:THR166 4.1 21.0 0.5
OD1 C:ASN189 4.1 17.3 1.0
C4' C:3AD502 4.1 12.6 1.0
C1D C:NAD501 4.1 14.1 1.0
ND2 C:ASN199 4.1 14.2 1.0
C5' C:3AD502 4.2 13.3 1.0
N C:THR165 4.4 12.9 1.0
CE C:LYS194 4.5 13.9 1.0
C C:GLU164 4.6 13.8 1.0
C2N C:NAD501 4.6 13.8 1.0
OD1 C:ASN199 4.6 14.4 1.0
C4N C:NAD501 4.6 14.5 1.0
CB C:THR166 4.6 18.5 0.5
CG2 C:THR166 4.7 13.1 0.5
CG C:ASN199 4.7 13.9 1.0
O2' C:3AD502 4.7 13.4 1.0
OG1 C:THR165 4.7 16.1 1.0
C2' C:3AD502 4.8 11.6 1.0
CA C:THR166 4.8 15.4 0.5
CG C:ASN189 4.9 15.7 1.0
CA C:THR166 4.9 17.5 0.5
C3N C:NAD501 5.0 14.0 1.0
C3D C:NAD501 5.0 13.8 1.0

Reference:

J.Czyrko, J.Sliwiak, B.Imiolczyk, Z.Gdaniec, M.Jaskolski, K.Brzezinski. Metal-Cation Regulation of Enzyme Dynamics Is A Key Factor Influencing the Activity of S-Adenosyl-L-Homocysteine Hydrolase From Pseudomonas Aeruginosa. Sci Rep V. 8 11334 2018.
ISSN: ESSN 2045-2322
PubMed: 30054521
DOI: 10.1038/S41598-018-29535-Y
Page generated: Sat Dec 12 12:57:39 2020

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