Chlorine in PDB 5ue1: Crystal Structure of 5'-Methylthioadenosine/S-Adenosylhomocysteine Nucleosidase in Complex with Adenine From Vibrio Fischeri ES114

Enzymatic activity of Crystal Structure of 5'-Methylthioadenosine/S-Adenosylhomocysteine Nucleosidase in Complex with Adenine From Vibrio Fischeri ES114

All present enzymatic activity of Crystal Structure of 5'-Methylthioadenosine/S-Adenosylhomocysteine Nucleosidase in Complex with Adenine From Vibrio Fischeri ES114:
3.2.2.9;

Protein crystallography data

The structure of Crystal Structure of 5'-Methylthioadenosine/S-Adenosylhomocysteine Nucleosidase in Complex with Adenine From Vibrio Fischeri ES114, PDB code: 5ue1 was solved by E.V.Filippova, G.Minasov, L.Shuvalova, O.Kiryukhina, I.Dubrovska, S.Grimshaw, W.F.Anderson, Center For Structural Genomics Of Infectiousdiseases (Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 30.00 / 1.14
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 55.642, 72.915, 57.563, 90.00, 109.60, 90.00
R / Rfree (%) 12.9 / 15.8

Other elements in 5ue1:

The structure of Crystal Structure of 5'-Methylthioadenosine/S-Adenosylhomocysteine Nucleosidase in Complex with Adenine From Vibrio Fischeri ES114 also contains other interesting chemical elements:

Calcium (Ca) 4 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of 5'-Methylthioadenosine/S-Adenosylhomocysteine Nucleosidase in Complex with Adenine From Vibrio Fischeri ES114 (pdb code 5ue1). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the Crystal Structure of 5'-Methylthioadenosine/S-Adenosylhomocysteine Nucleosidase in Complex with Adenine From Vibrio Fischeri ES114, PDB code: 5ue1:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in 5ue1

Go back to Chlorine Binding Sites List in 5ue1
Chlorine binding site 1 out of 5 in the Crystal Structure of 5'-Methylthioadenosine/S-Adenosylhomocysteine Nucleosidase in Complex with Adenine From Vibrio Fischeri ES114


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 5'-Methylthioadenosine/S-Adenosylhomocysteine Nucleosidase in Complex with Adenine From Vibrio Fischeri ES114 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl306

b:26.6
occ:0.80
 NE2 A:GLN11 2.8 26.7 1.0
N A:GLN11 3.0 12.0 1.0
CG A:GLN11 3.2 20.7 1.0
O A:HOH562 3.5 40.2 1.0
CB A:GLN11 3.5 15.7 1.0
CD A:GLN11 3.5 24.1 1.0
N A:GLU10 3.6 11.2 1.0
CB A:MET9 3.6 11.2 1.0
O A:HOH591 3.7 22.3 1.0
CE A:MET9 3.8 17.7 1.0
CB A:GLU10 3.8 14.8 1.0
CA A:GLN11 3.9 13.5 1.0
C A:GLU10 3.9 11.1 1.0
CA A:GLU10 4.0 12.2 1.0
C A:MET9 4.2 10.3 1.0
CA A:MET9 4.4 10.2 1.0
OE1 A:GLU10 4.4 25.6 1.0
CD2 A:LEU212 4.5 13.8 1.0
CG A:MET9 4.5 12.3 1.0
OE1 A:GLN11 4.7 26.0 1.0
SD A:MET9 4.7 14.1 1.0
O A:MET9 4.9 10.9 1.0

Chlorine binding site 2 out of 5 in 5ue1

Go back to Chlorine Binding Sites List in 5ue1
Chlorine binding site 2 out of 5 in the Crystal Structure of 5'-Methylthioadenosine/S-Adenosylhomocysteine Nucleosidase in Complex with Adenine From Vibrio Fischeri ES114


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 5'-Methylthioadenosine/S-Adenosylhomocysteine Nucleosidase in Complex with Adenine From Vibrio Fischeri ES114 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl307

b:20.8
occ:0.70
 O A:HOH491 3.2 28.6 1.0
N A:ARG143 3.2 13.6 1.0
NH1 A:ARG143 3.2 18.9 1.0
CA A:VAL142 3.7 13.3 1.0
CD A:ARG143 3.7 18.9 1.0
O A:ARG143 3.9 15.3 1.0
C A:VAL142 4.0 13.6 1.0
CG1 A:VAL142 4.0 16.4 1.0
CA A:ARG143 4.1 13.2 1.0
CB A:ARG143 4.1 16.8 1.0
CZ A:ARG143 4.2 19.5 1.0
CG A:ARG143 4.3 17.2 1.0
CB A:VAL142 4.3 14.3 1.0
O A:ALA141 4.4 15.2 1.0
NE A:ARG143 4.4 18.9 1.0
C A:ARG143 4.5 13.6 1.0
O A:HOH547 4.7 34.4 1.0
CG2 A:VAL142 4.8 14.4 1.0
N A:VAL142 4.8 12.8 1.0
O A:HOH486 4.9 35.4 1.0

Chlorine binding site 3 out of 5 in 5ue1

Go back to Chlorine Binding Sites List in 5ue1
Chlorine binding site 3 out of 5 in the Crystal Structure of 5'-Methylthioadenosine/S-Adenosylhomocysteine Nucleosidase in Complex with Adenine From Vibrio Fischeri ES114


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 5'-Methylthioadenosine/S-Adenosylhomocysteine Nucleosidase in Complex with Adenine From Vibrio Fischeri ES114 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl303

b:14.4
occ:0.70
 O B:ILE50 2.8 9.0 1.0
O B:HOH463 2.8 10.9 1.0
N B:ALA54 2.9 8.4 1.0
NE2 A:GLN181 3.0 9.4 1.0
C B:GLY51 3.4 8.7 1.0
CB B:ALA54 3.4 10.6 1.0
N B:VAL53 3.4 8.4 1.0
CA B:GLY51 3.5 8.6 1.0
CG A:MET112 3.6 11.5 1.0
O B:GLY51 3.6 8.7 1.0
CA B:ALA54 3.7 8.8 1.0
N B:LYS52 3.7 8.4 1.0
C B:ILE50 3.8 8.4 1.0
OE1 A:GLN181 3.8 10.7 1.0
CD A:GLN181 3.8 9.2 1.0
C B:VAL53 3.8 8.6 1.0
CA B:VAL53 3.9 8.3 1.0
CB B:VAL53 3.9 9.2 1.0
O A:HOH506 4.0 11.7 1.0
N B:GLY51 4.0 8.6 1.0
SD A:MET112 4.2 12.2 1.0
C B:LYS52 4.3 8.8 1.0
CA B:LYS52 4.6 8.4 1.0
CB A:MET112 4.6 11.4 1.0
CE A:MET112 4.7 12.4 1.0
CG2 B:VAL53 4.8 10.2 1.0
CG1 B:VAL53 4.8 9.4 1.0
C B:ALA54 4.9 8.9 1.0
N B:ALA55 4.9 8.3 1.0
NE2 A:GLN115 4.9 12.6 1.0
OD1 B:ASP150 5.0 11.2 1.0

Chlorine binding site 4 out of 5 in 5ue1

Go back to Chlorine Binding Sites List in 5ue1
Chlorine binding site 4 out of 5 in the Crystal Structure of 5'-Methylthioadenosine/S-Adenosylhomocysteine Nucleosidase in Complex with Adenine From Vibrio Fischeri ES114


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 5'-Methylthioadenosine/S-Adenosylhomocysteine Nucleosidase in Complex with Adenine From Vibrio Fischeri ES114 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl304

b:26.6
occ:1.00
 NE2 B:GLN11 2.9 28.6 1.0
N B:GLN11 3.1 11.7 1.0
CG B:GLN11 3.3 18.7 1.0
O B:HOH539 3.6 21.5 1.0
CB B:GLN11 3.6 16.3 1.0
CD B:GLN11 3.6 24.8 1.0
N B:GLU10 3.6 11.9 1.0
CB B:MET9 3.7 10.7 1.0
O B:HOH686 3.7 44.0 1.0
CE B:MET9 3.8 16.4 1.0
CB B:GLU10 3.8 14.5 1.0
CA B:GLN11 4.0 13.2 1.0
CA B:GLU10 4.0 12.3 1.0
C B:GLU10 4.0 11.5 1.0
C B:MET9 4.3 10.6 1.0
OE1 B:GLU10 4.4 32.4 1.0
CA B:MET9 4.5 9.9 1.0
CD2 B:LEU212 4.5 14.5 1.0
CG B:MET9 4.6 12.1 1.0
SD B:MET9 4.7 14.3 1.0
OE1 B:GLN11 4.9 28.9 1.0
CG B:GLU10 5.0 18.3 1.0

Chlorine binding site 5 out of 5 in 5ue1

Go back to Chlorine Binding Sites List in 5ue1
Chlorine binding site 5 out of 5 in the Crystal Structure of 5'-Methylthioadenosine/S-Adenosylhomocysteine Nucleosidase in Complex with Adenine From Vibrio Fischeri ES114


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of 5'-Methylthioadenosine/S-Adenosylhomocysteine Nucleosidase in Complex with Adenine From Vibrio Fischeri ES114 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl305

b:24.0
occ:0.70
 O B:HOH464 3.0 29.4 1.0
NH1 B:ARG143 3.1 25.0 1.0
N B:ARG143 3.2 15.6 1.0
CA B:VAL142 3.6 14.2 1.0
CD B:ARG143 3.8 22.4 1.0
CG1 B:VAL142 3.8 17.8 1.0
O B:ARG143 3.9 16.9 1.0
C B:VAL142 3.9 13.5 1.0
CA B:ARG143 4.1 16.2 1.0
CZ B:ARG143 4.2 23.8 1.0
CB B:VAL142 4.2 15.9 1.0
CB B:ARG143 4.2 20.1 1.0
O B:ALA141 4.3 16.8 1.0
NE B:ARG143 4.4 26.1 1.0
CG B:ARG143 4.4 20.9 1.0
C B:ARG143 4.5 14.7 1.0
CG2 B:VAL142 4.7 18.0 1.0
N B:VAL142 4.7 14.7 1.0
O B:HOH496 4.8 36.6 1.0
C B:ALA141 4.9 15.0 1.0

Reference:

E.V.Filippova, G.Minasov, L.Shuvalova, O.Kiryukhina, I.Dubrovska, S.Grimshaw, W.F.Anderson, Center For Structural Genomics Of Infectious Diseases(Csgid). Crystal Structure of 5'-Methylthioadenosine/S-Adenosylhomocysteine Nucleosidase From Vibrio Fischeri ES114 To Be Published.
Page generated: Sat Dec 12 12:30:59 2020

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