Chlorine in PDB 5utu: 2.65 Angstrom Resolution Crystal Structure of S-Adenosylhomocysteinase From Cryptosporidium Parvum in Complex with Sah and Nad

Enzymatic activity of 2.65 Angstrom Resolution Crystal Structure of S-Adenosylhomocysteinase From Cryptosporidium Parvum in Complex with Sah and Nad

All present enzymatic activity of 2.65 Angstrom Resolution Crystal Structure of S-Adenosylhomocysteinase From Cryptosporidium Parvum in Complex with Sah and Nad:
3.3.1.1;

Protein crystallography data

The structure of 2.65 Angstrom Resolution Crystal Structure of S-Adenosylhomocysteinase From Cryptosporidium Parvum in Complex with Sah and Nad, PDB code: 5utu was solved by G.Minasov, L.Shuvalova, I.Dubrovska, J.Winsor, J.Stam, 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) 30.00 / 2.65
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 107.906, 185.834, 121.619, 90.00, 97.98, 90.00
R / Rfree (%) 17 / 20.2

Chlorine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 11;

Binding sites:

The binding sites of Chlorine atom in the 2.65 Angstrom Resolution Crystal Structure of S-Adenosylhomocysteinase From Cryptosporidium Parvum in Complex with Sah and Nad (pdb code 5utu). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 11 binding sites of Chlorine where determined in the 2.65 Angstrom Resolution Crystal Structure of S-Adenosylhomocysteinase From Cryptosporidium Parvum in Complex with Sah and Nad, PDB code: 5utu:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 11 in 5utu

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Chlorine binding site 1 out of 11 in the 2.65 Angstrom Resolution Crystal Structure of S-Adenosylhomocysteinase From Cryptosporidium Parvum in Complex with Sah and Nad


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of 2.65 Angstrom Resolution Crystal Structure of S-Adenosylhomocysteinase From Cryptosporidium Parvum in Complex with Sah and Nad within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl503

b:86.0
occ:1.00
 O A:HOH752 2.8 57.5 1.0
NH2 A:ARG35 3.4 54.5 1.0
NH1 A:ARG35 4.0 58.0 1.0
CZ A:ARG35 4.2 56.1 1.0
CG A:LYS36 4.2 54.2 1.0
CE A:LYS36 4.7 60.9 1.0
CD A:LYS36 4.8 57.3 1.0
CB A:LYS36 4.9 48.9 1.0
CA A:LYS36 4.9 47.2 1.0

Chlorine binding site 2 out of 11 in 5utu

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Chlorine binding site 2 out of 11 in the 2.65 Angstrom Resolution Crystal Structure of S-Adenosylhomocysteinase From Cryptosporidium Parvum in Complex with Sah and Nad


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of 2.65 Angstrom Resolution Crystal Structure of S-Adenosylhomocysteinase From Cryptosporidium Parvum in Complex with Sah and Nad within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl503

b:52.9
occ:1.00
 NH1 B:ARG293 3.1 46.9 1.0
CE B:LYS270 3.5 45.5 1.0
CD B:LYS270 4.3 43.1 1.0
CZ B:ARG293 4.4 42.7 1.0
CD D:GLN313 4.4 34.4 1.0
OE1 D:GLN313 4.5 35.1 1.0
CG D:GLN313 4.6 33.8 1.0
NE2 D:GLN313 4.7 33.0 1.0
NZ B:LYS270 4.8 46.6 1.0
NH2 B:ARG293 4.9 43.5 1.0

Chlorine binding site 3 out of 11 in 5utu

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Chlorine binding site 3 out of 11 in the 2.65 Angstrom Resolution Crystal Structure of S-Adenosylhomocysteinase From Cryptosporidium Parvum in Complex with Sah and Nad


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of 2.65 Angstrom Resolution Crystal Structure of S-Adenosylhomocysteinase From Cryptosporidium Parvum in Complex with Sah and Nad within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl504

b:84.6
occ:1.00
 O B:HOH682 2.8 49.2 1.0
NH1 B:ARG343 4.1 53.7 1.0
NH2 B:ARG343 4.2 51.6 1.0
CZ B:ARG343 4.7 51.5 1.0

Chlorine binding site 4 out of 11 in 5utu

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Chlorine binding site 4 out of 11 in the 2.65 Angstrom Resolution Crystal Structure of S-Adenosylhomocysteinase From Cryptosporidium Parvum in Complex with Sah and Nad


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of 2.65 Angstrom Resolution Crystal Structure of S-Adenosylhomocysteinase From Cryptosporidium Parvum in Complex with Sah and Nad within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl503

b:74.4
occ:1.00
 O D:HOH692 2.9 51.5 1.0
N C:GLU491 3.2 46.4 1.0
O C:HOH715 3.6 44.7 1.0
CG C:GLU491 3.8 60.5 1.0
CA C:SER490 3.8 42.8 1.0
CB C:GLU491 3.9 54.2 1.0
C C:SER490 4.0 43.8 1.0
CB C:SER490 4.1 44.1 1.0
CA C:GLU491 4.2 49.0 1.0
OG C:SER490 4.7 47.4 1.0
NZ D:LYS220 4.8 86.0 1.0

Chlorine binding site 5 out of 11 in 5utu

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Chlorine binding site 5 out of 11 in the 2.65 Angstrom Resolution Crystal Structure of S-Adenosylhomocysteinase From Cryptosporidium Parvum in Complex with Sah and Nad


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of 2.65 Angstrom Resolution Crystal Structure of S-Adenosylhomocysteinase From Cryptosporidium Parvum in Complex with Sah and Nad within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl503

b:80.1
occ:1.00
 NH1 D:ARG35 3.1 71.1 1.0
CG D:ARG35 3.7 57.7 1.0
CD D:ARG35 3.7 58.9 1.0
NZ G:LYS44 3.9 79.8 1.0
CZ D:ARG35 4.1 67.3 1.0
NE D:ARG35 4.4 61.2 1.0
CE G:LYS44 4.5 76.2 1.0
CD G:LYS44 4.6 71.4 1.0
O D:ARG35 4.9 55.5 1.0

Chlorine binding site 6 out of 11 in 5utu

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Chlorine binding site 6 out of 11 in the 2.65 Angstrom Resolution Crystal Structure of S-Adenosylhomocysteinase From Cryptosporidium Parvum in Complex with Sah and Nad


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of 2.65 Angstrom Resolution Crystal Structure of S-Adenosylhomocysteinase From Cryptosporidium Parvum in Complex with Sah and Nad within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl503

b:66.7
occ:1.00
 NH2 E:ARG343 3.5 56.2 1.0
NH1 E:ARG343 3.7 56.7 1.0
CZ E:ARG343 4.1 55.0 1.0
OH E:TYR369 4.8 61.0 1.0

Chlorine binding site 7 out of 11 in 5utu

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Chlorine binding site 7 out of 11 in the 2.65 Angstrom Resolution Crystal Structure of S-Adenosylhomocysteinase From Cryptosporidium Parvum in Complex with Sah and Nad


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of 2.65 Angstrom Resolution Crystal Structure of S-Adenosylhomocysteinase From Cryptosporidium Parvum in Complex with Sah and Nad within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl504

b:65.1
occ:1.00
 NH2 E:ARG35 3.4 36.1 0.5
CD E:ARG35 3.4 36.7 0.5
NH2 E:ARG38 3.7 61.4 0.5
CZ E:ARG35 4.3 36.1 0.5
CG E:ARG35 4.3 37.1 0.5
NE E:ARG35 4.4 35.7 0.5
NH1 E:ARG38 4.5 56.7 0.5
NH2 E:ARG38 4.5 58.0 0.5
CZ E:ARG38 4.8 61.2 0.5
CZ E:ARG38 4.9 58.1 0.5

Chlorine binding site 8 out of 11 in 5utu

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Chlorine binding site 8 out of 11 in the 2.65 Angstrom Resolution Crystal Structure of S-Adenosylhomocysteinase From Cryptosporidium Parvum in Complex with Sah and Nad


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of 2.65 Angstrom Resolution Crystal Structure of S-Adenosylhomocysteinase From Cryptosporidium Parvum in Complex with Sah and Nad within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Cl504

b:80.5
occ:1.00
 N F:TYR164 3.7 82.4 1.0
CD2 F:TYR164 4.0 77.0 1.0
CB F:GLU163 4.0 94.7 1.0
N F:GLU163 4.1 90.1 1.0
CB F:TYR164 4.1 77.2 1.0
C F:GLU163 4.3 87.5 1.0
CA F:GLU163 4.3 91.1 1.0
CA F:TYR164 4.4 80.2 1.0
CG F:TYR164 4.6 75.0 1.0

Chlorine binding site 9 out of 11 in 5utu

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Chlorine binding site 9 out of 11 in the 2.65 Angstrom Resolution Crystal Structure of S-Adenosylhomocysteinase From Cryptosporidium Parvum in Complex with Sah and Nad


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of 2.65 Angstrom Resolution Crystal Structure of S-Adenosylhomocysteinase From Cryptosporidium Parvum in Complex with Sah and Nad within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Cl503

b:71.2
occ:1.00
 NH2 G:ARG35 3.4 54.6 1.0
NH1 G:ARG35 4.0 61.3 1.0
CZ G:ARG35 4.2 56.7 1.0
CG G:LYS36 4.5 53.5 1.0
CE G:LYS36 4.9 60.1 1.0
CD G:LYS36 4.9 56.3 1.0

Chlorine binding site 10 out of 11 in 5utu

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Chlorine binding site 10 out of 11 in the 2.65 Angstrom Resolution Crystal Structure of S-Adenosylhomocysteinase From Cryptosporidium Parvum in Complex with Sah and Nad


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of 2.65 Angstrom Resolution Crystal Structure of S-Adenosylhomocysteinase From Cryptosporidium Parvum in Complex with Sah and Nad within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Cl504

b:65.4
occ:1.00
 NH2 G:ARG6 3.3 67.5 1.0
NZ G:LYS2 3.7 99.1 1.0
NE G:ARG6 3.8 58.3 1.0
CZ G:ARG6 3.9 61.7 1.0
CE G:LYS2 4.1 94.6 1.0
CD G:ARG6 5.0 54.9 1.0

Reference:

G.Minasov, L.Shuvalova, I.Dubrovska, J.Winsor, J.Stam, K.Kwon, W.F.Anderson, Center For Structural Genomics Of Infectious Diseases(Csgid). 2.65 Angstrom Resolution Crystal Structure of S-Adenosylhomocysteinase From Cryptosporidium Parvum in Complex with Sah and Nad To Be Published.
Page generated: Sat Dec 12 12:32:17 2020

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