Chlorine in PDB 6c02: Human Ectonucleotide Pyrophosphatase / Phosphodiesterase 3 (ENPP3, NPP3, CD203C), Inactive (T205A), N594S, with Alpha,Beta-Methylene-Atp (Ampcpp)

Enzymatic activity of Human Ectonucleotide Pyrophosphatase / Phosphodiesterase 3 (ENPP3, NPP3, CD203C), Inactive (T205A), N594S, with Alpha,Beta-Methylene-Atp (Ampcpp)

All present enzymatic activity of Human Ectonucleotide Pyrophosphatase / Phosphodiesterase 3 (ENPP3, NPP3, CD203C), Inactive (T205A), N594S, with Alpha,Beta-Methylene-Atp (Ampcpp):
3.1.4.1; 3.6.1.9;

Protein crystallography data

The structure of Human Ectonucleotide Pyrophosphatase / Phosphodiesterase 3 (ENPP3, NPP3, CD203C), Inactive (T205A), N594S, with Alpha,Beta-Methylene-Atp (Ampcpp), PDB code: 6c02 was solved by A.Gorelik, A.Randriamihaja, K.Illes, B.Nagar, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 48.62 / 1.94
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 78.656, 169.457, 79.062, 90.00, 103.87, 90.00
R / Rfree (%) 16.6 / 19.7

Other elements in 6c02:

The structure of Human Ectonucleotide Pyrophosphatase / Phosphodiesterase 3 (ENPP3, NPP3, CD203C), Inactive (T205A), N594S, with Alpha,Beta-Methylene-Atp (Ampcpp) also contains other interesting chemical elements:

Zinc (Zn) 4 atoms
Calcium (Ca) 2 atoms
Sodium (Na) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Human Ectonucleotide Pyrophosphatase / Phosphodiesterase 3 (ENPP3, NPP3, CD203C), Inactive (T205A), N594S, with Alpha,Beta-Methylene-Atp (Ampcpp) (pdb code 6c02). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Human Ectonucleotide Pyrophosphatase / Phosphodiesterase 3 (ENPP3, NPP3, CD203C), Inactive (T205A), N594S, with Alpha,Beta-Methylene-Atp (Ampcpp), PDB code: 6c02:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 6c02

Go back to Chlorine Binding Sites List in 6c02
Chlorine binding site 1 out of 3 in the Human Ectonucleotide Pyrophosphatase / Phosphodiesterase 3 (ENPP3, NPP3, CD203C), Inactive (T205A), N594S, with Alpha,Beta-Methylene-Atp (Ampcpp)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Human Ectonucleotide Pyrophosphatase / Phosphodiesterase 3 (ENPP3, NPP3, CD203C), Inactive (T205A), N594S, with Alpha,Beta-Methylene-Atp (Ampcpp) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl922

b:65.9
occ:1.00
 HG1 A:THR689 2.7 39.5 1.0
HB3 A:TYR682 3.1 39.9 1.0
HD23 A:LEU683 3.1 58.0 1.0
NA A:NA921 3.5 40.6 1.0
OG1 A:THR689 3.6 32.9 1.0
HA A:LEU683 3.7 48.7 1.0
HA A:THR689 3.7 38.0 1.0
O A:TYR682 3.8 37.7 1.0
HB2 A:TYR682 3.8 39.9 1.0
CB A:TYR682 3.8 33.3 1.0
C A:TYR682 3.9 37.6 1.0
CD2 A:LEU683 4.0 48.3 1.0
HD2 A:HIS690 4.0 42.4 1.0
HB A:THR689 4.0 37.3 1.0
N A:LEU683 4.1 38.6 1.0
HD21 A:LEU683 4.2 58.0 1.0
CB A:THR689 4.2 31.1 1.0
O A:HOH1138 4.2 39.0 1.0
O A:HOH1524 4.3 40.5 1.0
CA A:LEU683 4.4 40.6 1.0
H A:LEU683 4.4 46.3 1.0
CA A:THR689 4.5 31.7 1.0
CA A:TYR682 4.5 35.1 1.0
HD22 A:LEU683 4.5 58.0 1.0
H A:HIS690 4.6 33.5 1.0
CD2 A:HIS690 4.6 35.3 1.0
HG A:LEU683 4.7 56.6 1.0
CG A:LEU683 4.9 47.2 1.0
HE2 A:HIS690 4.9 42.5 1.0
HA A:TYR682 4.9 42.1 1.0
O A:ILE688 5.0 39.7 1.0

Chlorine binding site 2 out of 3 in 6c02

Go back to Chlorine Binding Sites List in 6c02
Chlorine binding site 2 out of 3 in the Human Ectonucleotide Pyrophosphatase / Phosphodiesterase 3 (ENPP3, NPP3, CD203C), Inactive (T205A), N594S, with Alpha,Beta-Methylene-Atp (Ampcpp)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Human Ectonucleotide Pyrophosphatase / Phosphodiesterase 3 (ENPP3, NPP3, CD203C), Inactive (T205A), N594S, with Alpha,Beta-Methylene-Atp (Ampcpp) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl923

b:42.5
occ:1.00
 HG1 A:THR813 2.2 33.4 1.0
HE A:ARG811 2.5 27.5 1.0
HH21 A:ARG811 2.7 29.4 1.0
HB3 A:ARG811 2.7 23.2 1.0
H A:THR813 2.7 33.1 1.0
HD2 A:PRO812 2.9 28.9 1.0
OG1 A:THR813 3.0 27.8 1.0
NE A:ARG811 3.3 22.9 1.0
HG2 A:PRO812 3.3 31.4 1.0
NH2 A:ARG811 3.4 24.5 1.0
HG23 A:THR813 3.4 34.2 1.0
N A:THR813 3.5 27.6 1.0
HG12 A:VAL815 3.6 27.4 1.0
CD A:PRO812 3.6 24.1 1.0
CB A:ARG811 3.7 19.4 1.0
O A:THR813 3.7 24.2 1.0
CZ A:ARG811 3.7 22.7 1.0
CB A:THR813 3.9 27.5 1.0
CG A:PRO812 4.0 26.2 1.0
HB2 A:ARG811 4.0 23.2 1.0
N A:PRO812 4.0 23.4 1.0
CG2 A:THR813 4.0 28.5 1.0
CA A:THR813 4.0 26.4 1.0
HH22 A:ARG811 4.1 29.4 1.0
C A:THR813 4.2 25.0 1.0
HG11 A:VAL815 4.2 27.4 1.0
HG21 A:THR813 4.3 34.2 1.0
CD A:ARG811 4.4 19.6 1.0
CG1 A:VAL815 4.4 22.8 1.0
O A:HOH1465 4.4 37.9 1.0
CG A:ARG811 4.4 20.6 1.0
HG2 A:ARG811 4.4 24.7 1.0
C A:PRO812 4.4 28.1 1.0
HD3 A:PRO812 4.4 28.9 1.0
C A:ARG811 4.5 21.6 1.0
O A:HOH1185 4.5 18.1 1.0
CA A:ARG811 4.6 20.1 1.0
HG3 A:PRO812 4.6 31.4 1.0
HA A:ARG811 4.6 24.1 1.0
CA A:PRO812 4.7 26.1 1.0
HD3 A:ARG811 4.7 23.6 1.0
H A:VAL815 4.7 27.4 1.0
HB A:THR813 4.7 33.0 1.0
HG13 A:VAL815 4.8 27.4 1.0
HG22 A:THR813 4.8 34.2 1.0
CB A:PRO812 4.9 25.5 1.0
HA A:THR813 5.0 31.6 1.0

Chlorine binding site 3 out of 3 in 6c02

Go back to Chlorine Binding Sites List in 6c02
Chlorine binding site 3 out of 3 in the Human Ectonucleotide Pyrophosphatase / Phosphodiesterase 3 (ENPP3, NPP3, CD203C), Inactive (T205A), N594S, with Alpha,Beta-Methylene-Atp (Ampcpp)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Human Ectonucleotide Pyrophosphatase / Phosphodiesterase 3 (ENPP3, NPP3, CD203C), Inactive (T205A), N594S, with Alpha,Beta-Methylene-Atp (Ampcpp) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl924

b:74.8
occ:1.00
 HB3 A:GLN151 2.9 48.0 1.0
HD22 A:ASN363 3.2 37.0 1.0
HG2 A:GLN151 3.5 49.3 1.0
O A:HOH1285 3.6 29.4 1.0
HB2 A:ASN363 3.6 35.4 1.0
CB A:GLN151 3.7 40.0 1.0
HB2 A:GLN151 3.8 48.0 1.0
HE1 A:HIS362 3.8 30.1 1.0
HE2 A:HIS362 3.9 31.0 1.0
HD21 A:ASN360 3.9 44.8 1.0
OD1 A:ASN360 4.0 36.8 1.0
ND2 A:ASN363 4.0 30.8 1.0
CG A:GLN151 4.1 41.1 1.0
CE1 A:HIS362 4.1 25.1 1.0
NE2 A:HIS362 4.1 25.8 1.0
HG3 A:GLN151 4.4 49.3 1.0
ND2 A:ASN360 4.4 37.3 1.0
HD21 A:ASN363 4.5 37.0 1.0
CG A:ASN360 4.5 34.4 1.0
CB A:ASN363 4.5 29.5 1.0
CG A:ASN363 4.8 29.5 1.0
HB3 A:ASN363 4.9 35.4 1.0
O A:GLN151 4.9 36.7 1.0
H A:ASN363 4.9 31.0 1.0
CA A:GLN151 4.9 38.1 1.0

Reference:

A.Gorelik, A.Randriamihaja, K.Illes, B.Nagar. Structural Basis For Nucleotide Recognition By the Ectoenzyme CD203C. Febs J. V. 285 2481 2018.
ISSN: ISSN 1742-4658
PubMed: 29717535
DOI: 10.1111/FEBS.14489
Page generated: Sat Dec 12 12:48:06 2020

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