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Chlorine in PDB 5jpi: 2.15 Angstrom Crystal Structure of S-Adenosylhomocysteinase From Cryptosporidium Parvum in Complex with D-Eritadenine and Nad

Enzymatic activity of 2.15 Angstrom Crystal Structure of S-Adenosylhomocysteinase From Cryptosporidium Parvum in Complex with D-Eritadenine and Nad

All present enzymatic activity of 2.15 Angstrom Crystal Structure of S-Adenosylhomocysteinase From Cryptosporidium Parvum in Complex with D-Eritadenine and Nad:
3.3.1.1;

Protein crystallography data

The structure of 2.15 Angstrom Crystal Structure of S-Adenosylhomocysteinase From Cryptosporidium Parvum in Complex with D-Eritadenine and Nad, PDB code: 5jpi was solved by G.Minasov, L.Shuvalova, O.Kiryukhina, I.Dubrovska, B.Bishop, K.Kwon, W.F.Anderson, Center For Structural Genomics Of Infectious Diseases(Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.97 / 2.15
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 115.847, 121.218, 178.770, 90.00, 90.00, 90.00
R / Rfree (%) 14.2 / 18.1

Chlorine Binding Sites:

The binding sites of Chlorine atom in the 2.15 Angstrom Crystal Structure of S-Adenosylhomocysteinase From Cryptosporidium Parvum in Complex with D-Eritadenine and Nad (pdb code 5jpi). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the 2.15 Angstrom Crystal Structure of S-Adenosylhomocysteinase From Cryptosporidium Parvum in Complex with D-Eritadenine and Nad, PDB code: 5jpi:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 5jpi

Go back to Chlorine Binding Sites List in 5jpi
Chlorine binding site 1 out of 4 in the 2.15 Angstrom Crystal Structure of S-Adenosylhomocysteinase From Cryptosporidium Parvum in Complex with D-Eritadenine and Nad


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of 2.15 Angstrom Crystal Structure of S-Adenosylhomocysteinase From Cryptosporidium Parvum in Complex with D-Eritadenine and Nad within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl506

b:35.7
occ:1.00
 NH2 B:ARG433 3.3 36.1 1.0
O B:HOH640 3.4 36.6 0.5
NZ B:LYS431 3.5 58.3 1.0
NH1 B:ARG433 3.5 35.1 1.0
CZ B:ARG433 3.9 35.3 1.0
CD B:LYS431 3.9 54.2 1.0
CE B:LYS431 4.0 54.5 1.0
NE1 B:TRP430 4.2 36.0 1.0
CD1 B:TRP430 4.4 34.4 1.0
O B:PRO42 4.7 35.3 1.0

Chlorine binding site 2 out of 4 in 5jpi

Go back to Chlorine Binding Sites List in 5jpi
Chlorine binding site 2 out of 4 in the 2.15 Angstrom Crystal Structure of S-Adenosylhomocysteinase From Cryptosporidium Parvum in Complex with D-Eritadenine and Nad


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of 2.15 Angstrom Crystal Structure of S-Adenosylhomocysteinase From Cryptosporidium Parvum in Complex with D-Eritadenine and Nad within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl507

b:80.5
occ:1.00
 OE2 B:GLU367 3.7 46.6 1.0
NZ B:LYS398 4.0 40.1 1.0
OE1 B:GLU367 4.2 48.9 1.0
CD B:GLU367 4.4 44.7 1.0
O B:HOH687 4.4 39.7 1.0
NH2 B:ARG400 4.5 37.2 1.0
CG B:LYS398 4.5 34.4 1.0
CD B:LYS398 4.6 36.6 1.0
NH1 B:ARG400 4.6 42.5 1.0
CB B:LYS398 4.7 33.2 1.0
CZ B:ARG400 4.8 38.0 1.0
O B:HOH847 4.8 43.7 1.0
CE B:LYS398 4.9 38.0 1.0

Chlorine binding site 3 out of 4 in 5jpi

Go back to Chlorine Binding Sites List in 5jpi
Chlorine binding site 3 out of 4 in the 2.15 Angstrom Crystal Structure of S-Adenosylhomocysteinase From Cryptosporidium Parvum in Complex with D-Eritadenine and Nad


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of 2.15 Angstrom Crystal Structure of S-Adenosylhomocysteinase From Cryptosporidium Parvum in Complex with D-Eritadenine and Nad within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl506

b:89.2
occ:1.00
 NZ C:LYS398 3.8 39.5 1.0
O C:HOH610 3.9 27.8 0.5
OH C:TYR80 4.1 35.8 1.0
CG C:LYS398 4.2 31.6 1.0
O C:HOH870 4.5 55.1 1.0
CD C:LYS398 4.5 34.4 1.0
CB C:LYS398 4.6 29.6 1.0
OE2 C:GLU367 4.7 45.1 1.0
NH1 C:ARG400 4.7 38.9 1.0
NH2 C:ARG400 4.8 37.0 1.0
CE C:LYS398 4.8 37.6 1.0
OE1 C:GLU367 4.8 45.2 1.0
CZ C:ARG400 4.9 38.1 1.0
O C:HOH867 4.9 32.4 1.0

Chlorine binding site 4 out of 4 in 5jpi

Go back to Chlorine Binding Sites List in 5jpi
Chlorine binding site 4 out of 4 in the 2.15 Angstrom Crystal Structure of S-Adenosylhomocysteinase From Cryptosporidium Parvum in Complex with D-Eritadenine and Nad


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of 2.15 Angstrom Crystal Structure of S-Adenosylhomocysteinase From Cryptosporidium Parvum in Complex with D-Eritadenine and Nad within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl507

b:95.3
occ:1.00
 O C:GLU225 4.3 40.5 1.0
C C:GLU225 4.5 40.8 1.0
O C:SER224 4.6 44.4 1.0
N C:GLY226 4.7 41.9 1.0
CA C:GLY226 4.8 40.6 1.0

Reference:

G.Minasov, L.Shuvalova, O.Kiryukhina, I.Dubrovska, B.Bishop, K.Kwon, W.F.Anderson, Center For Structural Genomics Of Infectious Diseases(Csgid). 2.15 Angstrom Crystal Structure of S-Adenosylhomocysteinase From Cryptosporidium Parvum in Complex with D-Eritadenine and Nad. To Be Published.
Page generated: Fri Jul 26 10:10:45 2024

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