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Chlorine in PDB 4f4r: Crystal Structure of D-Mannonate Dehydratase Homolog From Chromohalobacter Salexigens (Target Efi-502114), with Bound Na, Ordered Loop

Enzymatic activity of Crystal Structure of D-Mannonate Dehydratase Homolog From Chromohalobacter Salexigens (Target Efi-502114), with Bound Na, Ordered Loop

All present enzymatic activity of Crystal Structure of D-Mannonate Dehydratase Homolog From Chromohalobacter Salexigens (Target Efi-502114), with Bound Na, Ordered Loop:
4.2.1.8;

Protein crystallography data

The structure of Crystal Structure of D-Mannonate Dehydratase Homolog From Chromohalobacter Salexigens (Target Efi-502114), with Bound Na, Ordered Loop, PDB code: 4f4r was solved by M.W.Vetting, R.Toro, R.Bhosle, N.F.Al Obaidi, L.L.Morisco, S.R.Wasserman, S.Sojitra, E.Washington, A.Scott Glenn, S.Chowdhury, B.Evans, J.Hammonds, B.Hillerich, J.Love, R.D.Seidel, H.J.Imker, J.A.Gerlt, S.C.Almo, Enzymefunction Initiative (Efi), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 30.89 / 1.80
Space group P 4 2 2
Cell size a, b, c (Å), α, β, γ (°) 111.389, 111.389, 84.576, 90.00, 90.00, 90.00
R / Rfree (%) 14.5 / 17.1

Other elements in 4f4r:

The structure of Crystal Structure of D-Mannonate Dehydratase Homolog From Chromohalobacter Salexigens (Target Efi-502114), with Bound Na, Ordered Loop also contains other interesting chemical elements:

Sodium (Na) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of D-Mannonate Dehydratase Homolog From Chromohalobacter Salexigens (Target Efi-502114), with Bound Na, Ordered Loop (pdb code 4f4r). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Crystal Structure of D-Mannonate Dehydratase Homolog From Chromohalobacter Salexigens (Target Efi-502114), with Bound Na, Ordered Loop, PDB code: 4f4r:

Chlorine binding site 1 out of 1 in 4f4r

Go back to Chlorine Binding Sites List in 4f4r
Chlorine binding site 1 out of 1 in the Crystal Structure of D-Mannonate Dehydratase Homolog From Chromohalobacter Salexigens (Target Efi-502114), with Bound Na, Ordered Loop


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 D-Mannonate Dehydratase Homolog From Chromohalobacter Salexigens (Target Efi-502114), with Bound Na, Ordered Loop within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl502

b:25.4
occ:0.50
N A:VAL81 3.3 17.1 1.0
N A:PRO80 3.7 15.4 1.0
CB A:VAL81 3.7 18.8 1.0
CD A:PRO80 3.7 15.4 1.0
C A:GLY79 3.8 18.2 1.0
CA A:GLY79 3.8 13.8 1.0
N A:THR82 3.8 16.5 1.0
OG1 A:THR82 3.8 22.1 1.0
CG2 A:VAL81 4.0 17.9 1.0
CA A:VAL81 4.0 16.4 1.0
CG A:PRO80 4.1 21.8 1.0
C A:PRO80 4.3 16.9 1.0
O A:GLY79 4.4 18.3 1.0
C A:VAL81 4.5 16.3 1.0
O A:ARG78 4.5 16.8 1.0
CA A:PRO80 4.5 15.7 1.0
CB A:THR82 4.5 20.3 1.0
CA A:THR82 4.8 16.4 1.0
CB A:PRO80 4.9 19.5 1.0
N A:GLY79 5.0 17.8 1.0
CG1 A:VAL81 5.0 17.5 1.0

Reference:

M.W.Vetting, R.Toro, R.Bhosle, N.F.Al Obaidi, L.L.Morisco, S.R.Wasserman, S.Sojitra, E.Washington, A.Scott Glenn, S.Chowdhury, B.Evans, J.Hammonds, B.Hillerich, J.Love, R.D.Seidel, H.J.Imker, J.A.Gerlt, S.C.Almo, Enzyme Function Initiative (Efi). Crystal Structure of D-Mannonate Dehydratase Homolog From Chromohalobacter Salexigens (Target Efi-502114), with Bound Na, Ordered Loop To Be Published.
Page generated: Sun Jul 21 13:33:18 2024

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