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Chlorine in PDB 4gfi: Crystal Structure of Efi-502318, An Enolase Family Member From Agrobacterium Tumefaciens with Homology to Dipeptide Epimerases (Bound Sodium, L-Ala-L-Glu with Ordered Loop)

Protein crystallography data

The structure of Crystal Structure of Efi-502318, An Enolase Family Member From Agrobacterium Tumefaciens with Homology to Dipeptide Epimerases (Bound Sodium, L-Ala-L-Glu with Ordered Loop), PDB code: 4gfi was solved by M.W.Vetting, J.T.Bouvier, L.L.Morisco, S.R.Wasserman, S.Sojitra, 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) 62.83 / 1.90
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 76.901, 77.274, 215.825, 90.00, 90.00, 90.00
R / Rfree (%) 17.1 / 21.3

Other elements in 4gfi:

The structure of Crystal Structure of Efi-502318, An Enolase Family Member From Agrobacterium Tumefaciens with Homology to Dipeptide Epimerases (Bound Sodium, L-Ala-L-Glu with Ordered Loop) also contains other interesting chemical elements:

Sodium (Na) 4 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Efi-502318, An Enolase Family Member From Agrobacterium Tumefaciens with Homology to Dipeptide Epimerases (Bound Sodium, L-Ala-L-Glu with Ordered Loop) (pdb code 4gfi). 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 Efi-502318, An Enolase Family Member From Agrobacterium Tumefaciens with Homology to Dipeptide Epimerases (Bound Sodium, L-Ala-L-Glu with Ordered Loop), PDB code: 4gfi:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in 4gfi

Go back to Chlorine Binding Sites List in 4gfi
Chlorine binding site 1 out of 5 in the Crystal Structure of Efi-502318, An Enolase Family Member From Agrobacterium Tumefaciens with Homology to Dipeptide Epimerases (Bound Sodium, L-Ala-L-Glu with 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 Efi-502318, An Enolase Family Member From Agrobacterium Tumefaciens with Homology to Dipeptide Epimerases (Bound Sodium, L-Ala-L-Glu with Ordered Loop) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl404

b:59.7
occ:1.00
NH1 B:ARG265 3.5 20.2 1.0
NH2 B:ARG265 3.9 21.9 1.0
CZ B:ARG265 4.2 18.6 1.0
CD2 B:LEU266 4.3 13.9 1.0
NH2 B:ARG237 4.4 39.2 1.0
NH1 B:ARG237 4.7 46.8 1.0
CZ B:ARG237 4.9 45.5 1.0
CD D:ARG171 5.0 21.5 1.0

Chlorine binding site 2 out of 5 in 4gfi

Go back to Chlorine Binding Sites List in 4gfi
Chlorine binding site 2 out of 5 in the Crystal Structure of Efi-502318, An Enolase Family Member From Agrobacterium Tumefaciens with Homology to Dipeptide Epimerases (Bound Sodium, L-Ala-L-Glu with Ordered Loop)


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 Efi-502318, An Enolase Family Member From Agrobacterium Tumefaciens with Homology to Dipeptide Epimerases (Bound Sodium, L-Ala-L-Glu with Ordered Loop) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl405

b:44.0
occ:1.00
N B:ILE270 2.9 9.9 1.0
CB B:ALA293 3.4 10.8 1.0
N B:ALA293 3.5 9.3 1.0
CB B:ILE270 3.6 9.1 1.0
CG1 B:ILE270 3.7 15.2 1.0
O B:HOH683 3.7 29.8 1.0
CA B:ILE270 3.7 11.5 1.0
C B:THR269 3.9 11.0 1.0
O B:ILE270 3.9 9.0 1.0
CA B:THR269 3.9 12.3 1.0
CA B:ALA293 4.0 13.6 1.0
O B:HOH699 4.3 37.1 1.0
CG2 B:THR269 4.3 11.6 1.0
C B:ILE270 4.3 13.6 1.0
C B:THR292 4.4 9.2 1.0
CA B:THR292 4.5 14.2 1.0
O B:PHE268 4.6 15.9 1.0
CB B:THR269 4.6 12.5 1.0
CB B:THR292 4.9 10.5 1.0
CD1 B:ILE270 5.0 12.6 1.0

Chlorine binding site 3 out of 5 in 4gfi

Go back to Chlorine Binding Sites List in 4gfi
Chlorine binding site 3 out of 5 in the Crystal Structure of Efi-502318, An Enolase Family Member From Agrobacterium Tumefaciens with Homology to Dipeptide Epimerases (Bound Sodium, L-Ala-L-Glu with Ordered Loop)


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 Efi-502318, An Enolase Family Member From Agrobacterium Tumefaciens with Homology to Dipeptide Epimerases (Bound Sodium, L-Ala-L-Glu with Ordered Loop) within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl404

b:53.2
occ:1.00
N C:THR26 3.3 32.0 1.0
CD2 C:HIS27 3.6 51.7 1.0
CA C:ARG25 3.7 34.3 1.0
CB C:ARG25 3.7 39.0 1.0
OG1 C:THR26 3.8 36.8 1.0
N C:HIS27 3.9 32.9 1.0
C C:ARG25 4.0 32.9 1.0
CG C:ARG25 4.2 48.8 1.0
CA C:THR26 4.3 29.9 1.0
CG C:HIS27 4.4 51.6 1.0
C C:THR26 4.5 31.4 1.0
CB C:HIS27 4.6 43.6 1.0
NE2 C:HIS27 4.6 53.8 1.0
CB C:THR26 4.6 32.4 1.0
O C:HIS27 4.7 34.7 1.0
CA C:HIS27 4.7 37.9 1.0
O C:HOH620 4.7 27.3 1.0
NH1 C:ARG11 4.8 58.1 1.0
O C:THR24 4.9 37.0 1.0
N C:ARG25 5.0 35.4 1.0

Chlorine binding site 4 out of 5 in 4gfi

Go back to Chlorine Binding Sites List in 4gfi
Chlorine binding site 4 out of 5 in the Crystal Structure of Efi-502318, An Enolase Family Member From Agrobacterium Tumefaciens with Homology to Dipeptide Epimerases (Bound Sodium, L-Ala-L-Glu with Ordered Loop)


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 Efi-502318, An Enolase Family Member From Agrobacterium Tumefaciens with Homology to Dipeptide Epimerases (Bound Sodium, L-Ala-L-Glu with Ordered Loop) within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl404

b:38.5
occ:1.00
N D:GLU324 3.0 9.6 1.0
O B:HOH675 3.1 30.9 1.0
CG D:GLU324 3.2 25.2 1.0
CB D:GLU324 3.3 21.6 1.0
CD D:PRO323 3.6 10.8 1.0
CB D:ARG322 3.6 9.3 1.0
CG D:PRO323 3.7 14.8 1.0
CA D:GLU324 3.7 15.1 1.0
N D:PRO323 3.7 11.1 1.0
CD D:GLU324 4.0 33.7 1.0
C D:PRO323 4.0 12.4 1.0
C D:ARG322 4.1 10.3 1.0
OE2 D:GLU324 4.2 39.7 1.0
CA D:PRO323 4.2 9.9 1.0
O B:HOH710 4.4 28.8 1.0
CB D:PRO323 4.4 10.6 1.0
CA D:ARG322 4.4 9.0 1.0
CG D:ARG322 4.6 14.9 1.0
CD D:ARG322 4.7 23.9 1.0
OE1 D:GLU324 4.8 27.9 1.0
O D:ARG322 4.8 10.6 1.0
NE D:ARG322 4.9 34.2 1.0

Chlorine binding site 5 out of 5 in 4gfi

Go back to Chlorine Binding Sites List in 4gfi
Chlorine binding site 5 out of 5 in the Crystal Structure of Efi-502318, An Enolase Family Member From Agrobacterium Tumefaciens with Homology to Dipeptide Epimerases (Bound Sodium, L-Ala-L-Glu with Ordered Loop)


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 Efi-502318, An Enolase Family Member From Agrobacterium Tumefaciens with Homology to Dipeptide Epimerases (Bound Sodium, L-Ala-L-Glu with Ordered Loop) within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl405

b:57.2
occ:1.00
O D:HOH626 2.9 28.8 1.0
NH1 D:ARG239 3.5 20.9 1.0
O D:HOH625 3.6 15.4 1.0
NH2 D:ARG239 4.2 25.1 1.0
CZ D:ARG239 4.3 23.8 1.0
O D:HOH678 4.6 28.1 1.0
CA D:GLY207 4.8 21.6 1.0
N D:GLY207 4.9 15.8 1.0
O D:HOH679 4.9 30.9 1.0

Reference:

M.W.Vetting, J.T.Bouvier, L.L.Morisco, S.R.Wasserman, S.Sojitra, H.J.Imker, J.A.Gerlt, S.C.Almo, Enzyme Function Initiative (Efi). Crystal Structure of Efi-502318, An Enolase Family Member From Agrobacterium Tumefaciens with Homology to Dipeptide Epimerases (Bound Sodium, L-Ala-L-Glu with Ordered Loop) To Be Published.
Page generated: Sat Dec 12 10:39:26 2020

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