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Chlorine in PDB 3vcn: Crystal Structure of Mannonate Dehydratase (Target Efi-502209) From Caulobacter Crescentus CB15

Protein crystallography data

The structure of Crystal Structure of Mannonate Dehydratase (Target Efi-502209) From Caulobacter Crescentus CB15, PDB code: 3vcn was solved by Y.Patskovsky, R.Toro, R.Bhosle, B.Hillerich, R.D.Seidel, E.Washington, A.Scott Glenn, S.Chowdhury, B.Evans, J.Hammonds, W.D.Zencheck, H.J.Imker, J.A.Gerlt, S.C.Almo, Enzyme Function Initiative (Efi), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 50.00 / 1.45
Space group I 4
Cell size a, b, c (Å), α, β, γ (°) 116.302, 116.302, 118.078, 90.00, 90.00, 90.00
R / Rfree (%) 13 / 18.8

Other elements in 3vcn:

The structure of Crystal Structure of Mannonate Dehydratase (Target Efi-502209) From Caulobacter Crescentus CB15 also contains other interesting chemical elements:

Magnesium (Mg) 4 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Mannonate Dehydratase (Target Efi-502209) From Caulobacter Crescentus CB15 (pdb code 3vcn). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Mannonate Dehydratase (Target Efi-502209) From Caulobacter Crescentus CB15, PDB code: 3vcn:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 3vcn

Go back to Chlorine Binding Sites List in 3vcn
Chlorine binding site 1 out of 2 in the Crystal Structure of Mannonate Dehydratase (Target Efi-502209) From Caulobacter Crescentus CB15


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 Mannonate Dehydratase (Target Efi-502209) From Caulobacter Crescentus CB15 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl504

b:33.0
occ:1.00
CL C:CL504 2.6 33.0 1.0
O A:GLY79 3.2 27.8 1.0
N A:ALA83 3.4 17.4 1.0
CA A:GLY80 3.5 19.0 1.0
C A:GLY80 3.5 18.0 1.0
N A:VAL82 3.5 19.4 1.0
CD C:PRO81 3.7 19.7 1.0
CB A:VAL82 3.7 16.8 1.0
N C:VAL82 3.7 17.8 1.0
CG2 C:VAL82 3.8 17.5 1.0
O A:GLY80 3.8 18.4 1.0
O A:HOH994 3.9 49.2 1.0
N C:PRO81 3.9 18.5 1.0
N A:PRO81 3.9 17.8 1.0
CA A:VAL82 3.9 15.7 1.0
CB A:ALA83 4.0 17.6 1.0
CB C:VAL82 4.0 16.3 1.0
C A:GLY79 4.1 25.8 1.0
C A:VAL82 4.1 18.0 1.0
N A:GLY80 4.3 22.4 1.0
CA A:ALA83 4.3 17.6 1.0
C C:GLY80 4.3 18.4 1.0
CA C:GLY80 4.3 18.8 1.0
CG2 A:VAL82 4.4 18.2 1.0
C A:PRO81 4.5 15.9 1.0
CA C:VAL82 4.5 16.0 1.0
CD A:PRO81 4.6 17.9 1.0
CG C:PRO81 4.6 23.2 1.0
CA C:PRO81 4.7 17.8 1.0
CB C:PRO81 4.7 19.5 1.0
C C:PRO81 4.7 16.8 1.0
CG1 A:VAL82 4.8 19.5 1.0
CA A:PRO81 4.8 17.6 1.0

Chlorine binding site 2 out of 2 in 3vcn

Go back to Chlorine Binding Sites List in 3vcn
Chlorine binding site 2 out of 2 in the Crystal Structure of Mannonate Dehydratase (Target Efi-502209) From Caulobacter Crescentus CB15


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 Mannonate Dehydratase (Target Efi-502209) From Caulobacter Crescentus CB15 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl504

b:33.0
occ:1.00
CL A:CL504 2.6 33.0 1.0
O C:GLY79 3.3 29.7 1.0
N C:ALA83 3.3 16.2 1.0
N C:VAL82 3.5 17.8 1.0
CA C:GLY80 3.5 18.8 1.0
O C:HOH938 3.5 43.6 1.0
C C:GLY80 3.5 18.4 1.0
CB C:VAL82 3.6 16.3 1.0
CG2 A:VAL82 3.7 18.2 1.0
N A:VAL82 3.7 19.4 1.0
CD A:PRO81 3.8 17.9 1.0
O C:GLY80 3.8 18.2 1.0
CA C:VAL82 3.9 16.0 1.0
N C:PRO81 3.9 18.5 1.0
N A:PRO81 3.9 17.8 1.0
CB A:VAL82 4.0 16.8 1.0
CB C:ALA83 4.0 20.3 1.0
C C:VAL82 4.1 18.2 1.0
C C:GLY79 4.2 27.0 1.0
N C:GLY80 4.3 18.5 1.0
CA C:ALA83 4.3 16.4 1.0
C A:GLY80 4.3 18.0 1.0
CG2 C:VAL82 4.4 17.5 1.0
CA A:GLY80 4.4 19.0 1.0
C C:PRO81 4.4 16.8 1.0
CA A:VAL82 4.5 15.7 1.0
CD C:PRO81 4.5 19.7 1.0
CA A:PRO81 4.7 17.6 1.0
C A:PRO81 4.7 15.9 1.0
CG A:PRO81 4.7 24.1 1.0
CG1 C:VAL82 4.7 17.9 1.0
CA C:PRO81 4.8 17.8 1.0
CB A:PRO81 4.8 19.0 1.0

Reference:

Y.Patskovsky, R.Toro, R.Bhosle, B.Hillerich, R.D.Seidel, E.Washington, A.Scott Glenn, S.Chowdhury, B.Evans, J.Hammonds, W.D.Zencheck, H.J.Imker, J.A.Gerlt, S.C.Almo. Crystal Structure of Mannonate Dehydratase From Caulobacter Crescentus CB15 To Be Published.
Page generated: Sun Jul 21 06:50:09 2024

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