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Chlorine in PDB 4p2e: Acoustic Transfer of Protein Crystals From Agar Pedestals to Micromeshes For High Throughput Screening of Heavy Atom Derivatives

Enzymatic activity of Acoustic Transfer of Protein Crystals From Agar Pedestals to Micromeshes For High Throughput Screening of Heavy Atom Derivatives

All present enzymatic activity of Acoustic Transfer of Protein Crystals From Agar Pedestals to Micromeshes For High Throughput Screening of Heavy Atom Derivatives:
3.2.1.17;

Protein crystallography data

The structure of Acoustic Transfer of Protein Crystals From Agar Pedestals to Micromeshes For High Throughput Screening of Heavy Atom Derivatives, PDB code: 4p2e was solved by C.M.Cuttitta, C.G.Roessler, D.L.Ericson, A.Scalia, E.Teplitsky, O.Campos, R.Agarwal, M.Allaire, A.M.Orville, R.M.Sweet, A.S.Soares, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 50.00 / 1.60
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 77.833, 77.833, 36.636, 90.00, 90.00, 90.00
R / Rfree (%) 14.8 / 19.4

Other elements in 4p2e:

The structure of Acoustic Transfer of Protein Crystals From Agar Pedestals to Micromeshes For High Throughput Screening of Heavy Atom Derivatives also contains other interesting chemical elements:

Copper (Cu) 4 atoms
Sodium (Na) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Acoustic Transfer of Protein Crystals From Agar Pedestals to Micromeshes For High Throughput Screening of Heavy Atom Derivatives (pdb code 4p2e). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the Acoustic Transfer of Protein Crystals From Agar Pedestals to Micromeshes For High Throughput Screening of Heavy Atom Derivatives, PDB code: 4p2e:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in 4p2e

Go back to Chlorine Binding Sites List in 4p2e
Chlorine binding site 1 out of 5 in the Acoustic Transfer of Protein Crystals From Agar Pedestals to Micromeshes For High Throughput Screening of Heavy Atom Derivatives


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Acoustic Transfer of Protein Crystals From Agar Pedestals to Micromeshes For High Throughput Screening of Heavy Atom Derivatives within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl202

b:49.1
occ:1.00
 O A:HOH421 3.1 55.5 1.0
N A:ILE88 3.2 19.5 1.0
O A:HOH311 3.3 34.0 1.0
CG1 A:ILE88 3.6 19.6 1.0
CU A:CU208 3.6 28.3 0.7
CA A:ASP87 3.7 21.7 1.0
O A:SER86 3.9 24.4 1.0
C A:ASP87 3.9 19.5 1.0
OD1 A:ASP87 4.0 25.5 1.0
NE2 A:HIS15 4.1 22.4 1.0
CB A:ILE88 4.1 17.8 1.0
CA A:ILE88 4.1 18.5 1.0
CG2 A:ILE88 4.2 19.8 1.0
CD1 A:ILE88 4.4 21.3 1.0
CG A:ASP87 4.5 31.3 1.0
CZ A:PHE3 4.6 19.4 1.0
CB A:ASP87 4.6 23.1 1.0
CE1 A:HIS15 4.7 22.5 1.0
N A:ASP87 4.7 20.2 1.0
C A:SER86 4.7 19.5 1.0
CD2 A:HIS15 4.8 18.6 1.0
N A:THR89 4.9 18.3 1.0
CB A:ALA11 4.9 20.4 1.0
C A:ILE88 4.9 17.6 1.0

Chlorine binding site 2 out of 5 in 4p2e

Go back to Chlorine Binding Sites List in 4p2e
Chlorine binding site 2 out of 5 in the Acoustic Transfer of Protein Crystals From Agar Pedestals to Micromeshes For High Throughput Screening of Heavy Atom Derivatives


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Acoustic Transfer of Protein Crystals From Agar Pedestals to Micromeshes For High Throughput Screening of Heavy Atom Derivatives within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl203

b:20.8
occ:1.00
 OH A:TYR23 3.0 15.8 1.0
O A:HOH366 3.1 44.3 1.0
O A:HOH347 3.3 20.9 1.0
CZ A:TYR23 3.7 13.4 1.0
CE2 A:TYR23 3.7 14.3 1.0
CA A:GLY104 4.2 16.1 1.0
O A:ARG21 4.5 20.0 0.5
O A:ARG21 4.5 19.1 0.5
O A:HOH359 4.5 61.1 1.0
N A:GLY104 4.7 16.9 1.0
CE1 A:TYR23 4.9 14.8 1.0
CD2 A:TYR23 4.9 14.2 1.0

Chlorine binding site 3 out of 5 in 4p2e

Go back to Chlorine Binding Sites List in 4p2e
Chlorine binding site 3 out of 5 in the Acoustic Transfer of Protein Crystals From Agar Pedestals to Micromeshes For High Throughput Screening of Heavy Atom Derivatives


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Acoustic Transfer of Protein Crystals From Agar Pedestals to Micromeshes For High Throughput Screening of Heavy Atom Derivatives within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl204

b:26.9
occ:1.00
 OG A:SER24 3.0 20.6 1.0
N A:GLY26 3.1 16.3 1.0
O A:HOH462 3.2 39.8 1.0
CB A:SER24 3.5 18.8 1.0
CA A:GLY26 3.6 15.8 1.0
CA A:GLN121 3.7 22.0 1.0
O A:HOH476 3.9 30.9 0.5
CD1 A:ILE124 3.9 25.8 1.0
CB A:GLN121 4.0 29.4 1.0
N A:GLN121 4.0 21.1 1.0
N A:LEU25 4.1 17.4 1.0
C A:SER24 4.2 18.6 1.0
CG2 A:VAL120 4.3 21.3 1.0
C A:LEU25 4.3 17.5 1.0
C A:VAL120 4.3 19.4 1.0
O A:VAL120 4.3 19.1 1.0
CG A:GLN121 4.3 37.3 1.0
CG1 A:ILE124 4.5 24.4 1.0
CA A:SER24 4.5 18.3 1.0
C A:GLY26 4.6 15.6 1.0
CA A:LEU25 4.6 16.5 1.0
O A:SER24 4.6 17.3 1.0
N A:ASN27 4.6 15.6 1.0
C A:GLN121 4.9 19.9 1.0
CB A:LEU25 4.9 18.0 1.0

Chlorine binding site 4 out of 5 in 4p2e

Go back to Chlorine Binding Sites List in 4p2e
Chlorine binding site 4 out of 5 in the Acoustic Transfer of Protein Crystals From Agar Pedestals to Micromeshes For High Throughput Screening of Heavy Atom Derivatives


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Acoustic Transfer of Protein Crystals From Agar Pedestals to Micromeshes For High Throughput Screening of Heavy Atom Derivatives within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl205

b:44.3
occ:1.00
 O A:HOH393 3.3 49.4 1.0
NZ A:LYS33 3.6 28.1 1.0
CE2 A:PHE38 3.7 17.9 1.0
O A:HOH382 3.8 38.7 1.0
CZ3 A:TRP123 4.0 23.2 1.0
CD A:ARG5 4.1 26.6 1.0
CE A:LYS33 4.1 27.8 1.0
CB A:ARG5 4.1 22.7 1.0
CD A:LYS33 4.3 21.8 1.0
CZ A:PHE38 4.4 17.3 1.0
CG A:ARG5 4.6 22.8 1.0
CD2 A:PHE38 4.6 18.6 1.0
NE A:ARG5 4.7 28.0 1.0
CE3 A:TRP123 4.8 21.6 1.0
CH2 A:TRP123 5.0 23.4 1.0

Chlorine binding site 5 out of 5 in 4p2e

Go back to Chlorine Binding Sites List in 4p2e
Chlorine binding site 5 out of 5 in the Acoustic Transfer of Protein Crystals From Agar Pedestals to Micromeshes For High Throughput Screening of Heavy Atom Derivatives


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Acoustic Transfer of Protein Crystals From Agar Pedestals to Micromeshes For High Throughput Screening of Heavy Atom Derivatives within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl206

b:27.0
occ:1.00
 O A:HOH425 3.1 19.6 1.0
N A:THR69 3.1 18.3 1.0
O A:HOH404 3.2 32.0 1.0
O A:THR69 3.3 21.8 1.0
N A:ARG68 3.4 17.6 1.0
O A:HOH446 3.5 49.2 1.0
OD1 A:ASN65 3.5 21.3 1.0
C A:GLY67 3.6 23.2 1.0
N A:GLY67 3.6 18.6 1.0
OG A:SER72 3.7 25.5 1.0
CA A:GLY67 3.7 20.2 1.0
C A:THR69 3.7 19.5 1.0
CA A:THR69 3.8 18.4 1.0
O A:HOH427 3.9 22.7 1.0
CB A:THR69 4.0 18.4 1.0
OD1 A:ASP66 4.1 16.5 1.0
C A:ARG68 4.1 18.9 1.0
CA A:ARG68 4.2 18.7 1.0
O A:GLY67 4.3 23.4 1.0
NA A:NA201 4.6 23.3 1.0
N A:PRO70 4.6 22.1 1.0
OG1 A:THR69 4.7 17.9 1.0
C A:ASP66 4.7 16.7 1.0
N A:ASP66 4.7 15.4 1.0
CG A:ASN65 4.8 20.9 1.0
O A:HOH324 4.9 24.9 0.5
CB A:SER72 5.0 27.3 1.0

Reference:

C.M.Cuttitta, C.G.Roessler, D.L.Ericson, A.Scalia, E.Teplitsky, O.Campos, R.Agarwal, M.Allaire, A.M.Orville, R.M.Sweet, A.S.Soares. Acoustic Transfer of Protein Crystals From Agar Pedestals to Micromeshes For High Throughput Screening To Be Published.
Page generated: Sat Dec 12 11:02:21 2020

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