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Chlorine in PDB 4s26: Crystal Structure of Arabidopsis Thaliana Thic with Bound Imidazole Ribonucleotide, S-Adenosylhomocysteine, FE4S4 Cluster and Zn (Monoclinic Crystal Form)

Enzymatic activity of Crystal Structure of Arabidopsis Thaliana Thic with Bound Imidazole Ribonucleotide, S-Adenosylhomocysteine, FE4S4 Cluster and Zn (Monoclinic Crystal Form)

All present enzymatic activity of Crystal Structure of Arabidopsis Thaliana Thic with Bound Imidazole Ribonucleotide, S-Adenosylhomocysteine, FE4S4 Cluster and Zn (Monoclinic Crystal Form):
4.1.99.17;

Protein crystallography data

The structure of Crystal Structure of Arabidopsis Thaliana Thic with Bound Imidazole Ribonucleotide, S-Adenosylhomocysteine, FE4S4 Cluster and Zn (Monoclinic Crystal Form), PDB code: 4s26 was solved by M.K.Fenwick, A.P.Mehta, Y.Zhang, S.Abdelwahed, T.P.Begley, S.E.Ealick, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 48.26 / 1.85
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 175.911, 95.596, 71.414, 90.00, 104.22, 90.00
R / Rfree (%) 16.7 / 19.8

Other elements in 4s26:

The structure of Crystal Structure of Arabidopsis Thaliana Thic with Bound Imidazole Ribonucleotide, S-Adenosylhomocysteine, FE4S4 Cluster and Zn (Monoclinic Crystal Form) also contains other interesting chemical elements:

Zinc (Zn) 2 atoms
Iron (Fe) 8 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Arabidopsis Thaliana Thic with Bound Imidazole Ribonucleotide, S-Adenosylhomocysteine, FE4S4 Cluster and Zn (Monoclinic Crystal Form) (pdb code 4s26). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Arabidopsis Thaliana Thic with Bound Imidazole Ribonucleotide, S-Adenosylhomocysteine, FE4S4 Cluster and Zn (Monoclinic Crystal Form), PDB code: 4s26:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 4s26

Go back to Chlorine Binding Sites List in 4s26
Chlorine binding site 1 out of 2 in the Crystal Structure of Arabidopsis Thaliana Thic with Bound Imidazole Ribonucleotide, S-Adenosylhomocysteine, FE4S4 Cluster and Zn (Monoclinic Crystal Form)


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 Arabidopsis Thaliana Thic with Bound Imidazole Ribonucleotide, S-Adenosylhomocysteine, FE4S4 Cluster and Zn (Monoclinic Crystal Form) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl705

b:22.0
occ:0.80
 FE4 B:SF4702 2.2 22.4 1.0
O A:HOH963 2.9 24.1 1.0
O A:HOH957 3.4 22.1 1.0
CD2 A:HIS490 3.4 19.4 1.0
S3 B:SF4702 3.6 20.5 1.0
CE B:MET580 3.7 19.0 1.0
CA A:HIS490 3.8 17.2 1.0
S2 B:SF4702 3.8 22.1 1.0
S1 B:SF4702 3.9 22.2 1.0
N A:SAH703 3.9 17.8 1.0
CB A:HIS490 4.0 17.8 1.0
CG A:HIS490 4.0 17.9 1.0
CD B:ARG533 4.1 24.4 1.0
CG A:SAH703 4.2 28.3 1.0
O A:HOH1065 4.2 20.6 1.0
CG B:ARG533 4.3 22.5 1.0
SD B:MET580 4.5 26.3 1.0
O A:HOH962 4.5 15.0 1.0
NE B:ARG533 4.5 22.1 1.0
CA A:SAH703 4.6 16.9 1.0
O A:HIS490 4.6 17.4 1.0
FE1 B:SF4702 4.6 21.6 1.0
C A:HIS490 4.6 16.6 1.0
NE2 A:HIS490 4.6 16.7 1.0
N A:HIS490 4.7 14.1 1.0
FE2 B:SF4702 4.8 22.8 1.0
FE3 B:SF4702 4.8 21.3 1.0

Chlorine binding site 2 out of 2 in 4s26

Go back to Chlorine Binding Sites List in 4s26
Chlorine binding site 2 out of 2 in the Crystal Structure of Arabidopsis Thaliana Thic with Bound Imidazole Ribonucleotide, S-Adenosylhomocysteine, FE4S4 Cluster and Zn (Monoclinic Crystal Form)


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 Arabidopsis Thaliana Thic with Bound Imidazole Ribonucleotide, S-Adenosylhomocysteine, FE4S4 Cluster and Zn (Monoclinic Crystal Form) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl701

b:17.7
occ:0.80
 FE4 A:SF4701 2.2 17.6 1.0
O B:HOH1066 2.8 20.2 1.0
O B:HOH942 3.4 18.8 1.0
CD2 B:HIS490 3.5 15.6 1.0
CE A:MET580 3.6 16.9 1.0
S3 A:SF4701 3.7 19.8 1.0
S2 A:SF4701 3.8 19.9 1.0
S1 A:SF4701 3.8 18.8 1.0
N B:SAH704 3.8 16.3 1.0
CA B:HIS490 3.9 11.9 1.0
CD A:ARG533 4.0 15.6 1.0
CB B:HIS490 4.1 14.6 1.0
CG B:HIS490 4.2 11.1 1.0
O B:HOH1057 4.2 19.8 1.0
CG B:SAH704 4.2 25.5 1.0
CG A:ARG533 4.3 17.2 1.0
SD A:MET580 4.4 21.6 1.0
O B:HOH1065 4.4 15.3 1.0
NE A:ARG533 4.5 16.6 1.0
FE1 A:SF4701 4.6 17.0 1.0
CA B:SAH704 4.6 15.8 1.0
O B:HIS490 4.7 13.6 1.0
C B:HIS490 4.7 15.0 1.0
NE2 B:HIS490 4.7 11.1 1.0
FE3 A:SF4701 4.7 18.2 1.0
N B:HIS490 4.8 11.4 1.0
FE2 A:SF4701 4.8 18.9 1.0

Reference:

M.K.Fenwick, A.P.Mehta, Y.Zhang, S.H.Abdelwahed, T.P.Begley, S.E.Ealick. Non-Canonical Active Site Architecture of the Radical Sam Thiamin Pyrimidine Synthase. Nat Commun V. 6 6480.
ISSN: ESSN 2041-1723
PubMed: 25813242
DOI: 10.1038/NCOMMS7480
Page generated: Fri Jul 26 01:41:09 2024

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