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Chlorine in PDB 3ij5: 1.95 Angstrom Resolution Crystal Structure of 3-Deoxy-D-Manno- Octulosonate 8-Phosphate Phosphatase From Yersinia Pestis

Enzymatic activity of 1.95 Angstrom Resolution Crystal Structure of 3-Deoxy-D-Manno- Octulosonate 8-Phosphate Phosphatase From Yersinia Pestis

All present enzymatic activity of 1.95 Angstrom Resolution Crystal Structure of 3-Deoxy-D-Manno- Octulosonate 8-Phosphate Phosphatase From Yersinia Pestis:
3.1.3.45;

Protein crystallography data

The structure of 1.95 Angstrom Resolution Crystal Structure of 3-Deoxy-D-Manno- Octulosonate 8-Phosphate Phosphatase From Yersinia Pestis, PDB code: 3ij5 was solved by G.Minasov, A.Halavaty, L.Shuvalova, I.Dubrovska, J.Winsor, L.Papazisi, 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) 29.91 / 1.95
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 130.597, 77.941, 96.881, 90.00, 120.05, 90.00
R / Rfree (%) 16.3 / 20.2

Chlorine Binding Sites:

The binding sites of Chlorine atom in the 1.95 Angstrom Resolution Crystal Structure of 3-Deoxy-D-Manno- Octulosonate 8-Phosphate Phosphatase From Yersinia Pestis (pdb code 3ij5). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the 1.95 Angstrom Resolution Crystal Structure of 3-Deoxy-D-Manno- Octulosonate 8-Phosphate Phosphatase From Yersinia Pestis, PDB code: 3ij5:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 3ij5

Go back to Chlorine Binding Sites List in 3ij5
Chlorine binding site 1 out of 3 in the 1.95 Angstrom Resolution Crystal Structure of 3-Deoxy-D-Manno- Octulosonate 8-Phosphate Phosphatase From Yersinia Pestis


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of 1.95 Angstrom Resolution Crystal Structure of 3-Deoxy-D-Manno- Octulosonate 8-Phosphate Phosphatase From Yersinia Pestis within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl188

b:27.5
occ:0.70
 O D:HOH494 2.7 43.0 1.0
NH1 A:ARG62 3.2 11.6 0.3
NH1 A:ARG85 3.2 20.7 1.0
O A:HOH424 3.5 41.0 1.0
NH2 A:ARG85 3.5 21.4 1.0
CA A:GLY58 3.6 14.3 1.0
O A:VAL55 3.7 13.1 0.5
O A:VAL55 3.7 12.7 0.5
CA A:VAL55 3.7 13.3 0.5
CZ A:ARG85 3.8 20.7 1.0
CA A:VAL55 3.9 13.1 0.5
O A:HOH587 4.0 28.0 0.5
CB A:VAL55 4.1 13.2 0.5
NH2 A:ARG62 4.1 16.8 0.3
CZ A:ARG62 4.1 14.2 0.3
NH1 D:ARG77 4.2 22.6 1.0
CG1 A:VAL55 4.2 13.6 0.5
C A:VAL55 4.2 13.9 0.5
C A:VAL55 4.2 14.0 0.5
N A:GLY58 4.3 13.0 1.0
CG1 A:VAL55 4.3 13.2 0.5
CD2 A:LEU89 4.4 24.9 1.0
C A:GLY58 4.4 14.2 1.0
CB A:VAL55 4.5 13.3 0.5
O A:ASN54 4.6 15.0 1.0
O A:HOH491 4.7 38.4 1.0
N A:TYR59 4.7 13.3 1.0
O D:HOH467 4.7 26.5 1.0
CG2 A:VAL55 4.7 13.7 0.5
N A:VAL55 4.8 13.3 0.5
N A:VAL55 4.8 13.2 0.5

Chlorine binding site 2 out of 3 in 3ij5

Go back to Chlorine Binding Sites List in 3ij5
Chlorine binding site 2 out of 3 in the 1.95 Angstrom Resolution Crystal Structure of 3-Deoxy-D-Manno- Octulosonate 8-Phosphate Phosphatase From Yersinia Pestis


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of 1.95 Angstrom Resolution Crystal Structure of 3-Deoxy-D-Manno- Octulosonate 8-Phosphate Phosphatase From Yersinia Pestis within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl188

b:32.6
occ:0.70
 O B:HOH605 2.9 20.6 0.5
NH1 C:ARG85 3.0 24.0 1.0
O B:HOH484 3.3 28.3 0.5
NH1 C:ARG62 3.3 30.8 1.0
NH2 C:ARG85 3.3 22.0 1.0
CZ C:ARG85 3.6 20.9 1.0
O C:VAL55 3.8 17.4 1.0
CA C:GLY58 3.8 15.7 1.0
CA C:VAL55 3.8 17.7 1.0
NH2 C:ARG62 4.0 35.3 1.0
NH1 B:ARG77 4.1 29.6 1.0
CZ C:ARG62 4.1 34.9 1.0
CG1 C:VAL55 4.2 21.8 1.0
C C:VAL55 4.3 17.2 1.0
CD2 C:LEU89 4.3 25.4 1.0
CB C:VAL55 4.4 17.7 1.0
CG2 C:VAL55 4.4 18.6 1.0
N C:GLY58 4.4 16.7 1.0
C C:GLY58 4.6 17.6 1.0
O C:ASN54 4.6 16.0 1.0
O B:HOH605 4.8 17.8 0.5
N C:VAL55 4.8 16.3 1.0
NE C:ARG85 4.9 19.3 1.0
N C:TYR59 4.9 16.4 1.0

Chlorine binding site 3 out of 3 in 3ij5

Go back to Chlorine Binding Sites List in 3ij5
Chlorine binding site 3 out of 3 in the 1.95 Angstrom Resolution Crystal Structure of 3-Deoxy-D-Manno- Octulosonate 8-Phosphate Phosphatase From Yersinia Pestis


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of 1.95 Angstrom Resolution Crystal Structure of 3-Deoxy-D-Manno- Octulosonate 8-Phosphate Phosphatase From Yersinia Pestis within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl188

b:33.8
occ:0.70
 NH1 D:ARG85 3.1 20.2 1.0
O D:HOH345 3.2 33.6 1.0
NH2 D:ARG85 3.3 20.8 1.0
CZ D:ARG85 3.6 21.6 1.0
CA D:GLY58 3.7 17.0 1.0
O D:VAL55 3.7 16.7 1.0
CA D:VAL55 3.7 17.5 1.0
CD1 C:ILE41 4.2 21.1 0.5
C D:VAL55 4.2 17.5 1.0
CG2 D:VAL55 4.3 16.6 1.0
CD2 D:LEU89 4.3 20.5 1.0
NH2 C:ARG77 4.3 23.4 1.0
N D:GLY58 4.3 15.9 1.0
CB D:VAL55 4.3 18.8 1.0
CG1 D:VAL55 4.4 20.4 1.0
C D:GLY58 4.5 17.1 1.0
O C:HOH329 4.5 35.8 1.0
O D:ASN54 4.5 14.2 1.0
N D:VAL55 4.7 15.1 1.0
N D:TYR59 4.8 16.4 1.0
CD1 C:ILE41 4.9 23.0 0.5
NE D:ARG85 4.9 20.2 1.0
C D:ASN54 5.0 16.2 1.0

Reference:

G.Minasov, A.Halavaty, L.Shuvalova, I.Dubrovska, J.Winsor, L.Papazisi, W.F.Anderson, Center For Structural Genomics Of Infectious Diseases(Csgid). 1.95 Angstrom Resolution Crystal Structure of 3-Deoxy-D-Manno-Octulosonate 8-Phosphate Phosphatase From Yersinia Pestis To Be Published.
Page generated: Sat Jul 20 21:35:34 2024

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