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Chlorine in PDB 5f81: Acoustic Injectors For Drop-on-Demand Serial Femtosecond Crystallography

Enzymatic activity of Acoustic Injectors For Drop-on-Demand Serial Femtosecond Crystallography

All present enzymatic activity of Acoustic Injectors For Drop-on-Demand Serial Femtosecond Crystallography:
3.2.1.17;

Protein crystallography data

The structure of Acoustic Injectors For Drop-on-Demand Serial Femtosecond Crystallography, PDB code: 5f81 was solved by C.G.Roessler, R.Agarwal, M.Allaire, R.Alonso-Mori, B.Andi, J.F.R.Bachega, M.Bommer, A.S.Brewster, M.C.Browne, R.Chatterjee, E.Cho, A.E.Cohen, M.Cowan, S.Datwani, V.L.Davidson, J.Defever, B.Eaton, R.Ellson, Y.Feng, L.P.Ghislain, J.M.Glownia, G.Han, J.Hattne, J.Hellmich, A.Heroux, M.Ibrahim, J.Kern, A.Kuczewski, H.T.Lemke, P.Liu, L.Majlof, W.M.Mcclintock, S.Myers, S.Nelsen, J.Olechno, A.M.Orville, N.K.Sauter, A.S.Soares, M.S.Soltis, H.Song, R.G.Stearns, R.Tran, Y.Tsai, M.Uervirojnangkoorn, C.M.Wilmot, V.Yachandra, J.Yano, E.T.Yukl, D.Zhu, A.Zouni, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 55.51 / 2.13
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 78.504, 78.504, 37.618, 90.00, 90.00, 90.00
R / Rfree (%) 24.2 / 33.3

Other elements in 5f81:

The structure of Acoustic Injectors For Drop-on-Demand Serial Femtosecond Crystallography also contains other interesting chemical elements:

Sodium (Na) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Acoustic Injectors For Drop-on-Demand Serial Femtosecond Crystallography (pdb code 5f81). 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 Injectors For Drop-on-Demand Serial Femtosecond Crystallography, PDB code: 5f81:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in 5f81

Go back to Chlorine Binding Sites List in 5f81
Chlorine binding site 1 out of 5 in the Acoustic Injectors For Drop-on-Demand Serial Femtosecond Crystallography


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Acoustic Injectors For Drop-on-Demand Serial Femtosecond Crystallography within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl202

b:41.5
occ:1.00
 OH A:TYR23 2.9 10.6 1.0
CZ A:TYR23 3.5 10.3 1.0
CE2 A:TYR23 3.5 10.3 1.0
CA A:GLY104 4.5 16.2 1.0
O A:ARG21 4.6 13.9 1.0
CE1 A:TYR23 4.6 10.6 1.0
CD2 A:TYR23 4.7 10.6 1.0

Chlorine binding site 2 out of 5 in 5f81

Go back to Chlorine Binding Sites List in 5f81
Chlorine binding site 2 out of 5 in the Acoustic Injectors For Drop-on-Demand Serial Femtosecond Crystallography


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Acoustic Injectors For Drop-on-Demand Serial Femtosecond Crystallography within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl203

b:29.8
occ:1.00
 N A:GLY26 2.7 11.5 1.0
OG A:SER24 2.7 10.5 1.0
CA A:GLY26 3.2 11.8 1.0
O A:HOH350 3.5 17.6 1.0
N A:LEU25 3.5 10.6 1.0
CB A:SER24 3.7 10.5 1.0
C A:LEU25 3.8 11.0 1.0
CA A:GLN121 3.9 18.1 1.0
CG2 A:VAL120 3.9 16.2 1.0
C A:SER24 4.0 10.5 1.0
CA A:LEU25 4.1 10.4 1.0
N A:GLN121 4.1 17.1 1.0
O A:VAL120 4.2 15.7 1.0
C A:GLY26 4.2 12.1 1.0
CD1 A:ILE124 4.2 17.5 1.0
CG A:GLN121 4.2 23.3 1.0
O A:HOH428 4.3 34.1 1.0
N A:ASN27 4.3 12.1 1.0
C A:VAL120 4.3 16.1 1.0
CB A:LEU25 4.4 10.1 1.0
CG1 A:ILE124 4.4 16.4 1.0
CA A:SER24 4.5 10.8 1.0
O A:SER24 4.6 10.7 1.0
CB A:GLN121 4.6 20.3 1.0
O A:LEU25 4.9 11.8 1.0
CB A:VAL120 4.9 16.3 1.0
C A:GLN121 5.0 17.4 1.0

Chlorine binding site 3 out of 5 in 5f81

Go back to Chlorine Binding Sites List in 5f81
Chlorine binding site 3 out of 5 in the Acoustic Injectors For Drop-on-Demand Serial Femtosecond Crystallography


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Acoustic Injectors For Drop-on-Demand Serial Femtosecond Crystallography within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl204

b:32.9
occ:1.00
 O A:SER36 2.4 10.6 1.0
O A:HOH376 3.0 29.8 1.0
CB A:ASN39 3.2 11.5 1.0
C A:SER36 3.3 10.8 1.0
ND2 A:ASN39 3.5 12.5 1.0
CB A:ALA42 3.7 15.8 1.0
CG A:ASN39 3.9 11.8 1.0
CB A:ASN37 3.9 11.9 1.0
CA A:SER36 4.1 10.6 1.0
N A:ASN37 4.2 11.2 1.0
CA A:ALA42 4.4 15.2 1.0
CA A:ASN39 4.5 11.3 1.0
CA A:ASN37 4.5 11.2 1.0
CB A:SER36 4.7 10.6 1.0
N A:ASN39 4.7 10.7 1.0
N A:ALA42 4.8 13.9 1.0
O A:ASN39 4.8 11.5 1.0
C A:ASN37 4.9 10.9 1.0

Chlorine binding site 4 out of 5 in 5f81

Go back to Chlorine Binding Sites List in 5f81
Chlorine binding site 4 out of 5 in the Acoustic Injectors For Drop-on-Demand Serial Femtosecond Crystallography


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Acoustic Injectors For Drop-on-Demand Serial Femtosecond Crystallography within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl205

b:25.9
occ:1.00
 ND2 A:ASN59 2.4 19.1 1.0
O A:HOH370 2.9 27.2 1.0
ND2 A:ASN46 3.2 22.4 1.0
CG A:ASN59 3.6 17.0 1.0
OD1 A:ASP52 3.6 12.6 1.0
CG A:ASN46 3.6 23.5 1.0
OD1 A:ASN46 3.6 25.9 1.0
OD2 A:ASP52 3.7 13.6 1.0
O A:HOH318 3.9 19.8 1.0
CG A:ASP52 4.1 12.2 1.0
OD1 A:ASN59 4.2 16.1 1.0
CB A:ASN59 4.5 16.7 1.0
OG A:SER50 4.6 13.4 1.0
CB A:ASN46 4.6 23.3 1.0
O A:HOH400 4.8 30.6 1.0
O A:HOH361 4.9 16.9 1.0

Chlorine binding site 5 out of 5 in 5f81

Go back to Chlorine Binding Sites List in 5f81
Chlorine binding site 5 out of 5 in the Acoustic Injectors For Drop-on-Demand Serial Femtosecond Crystallography


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Acoustic Injectors For Drop-on-Demand Serial Femtosecond Crystallography within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl206

b:30.4
occ:1.00
 O A:LEU83 2.4 14.1 1.0
OG A:SER91 2.8 20.9 1.0
N A:ILE55 3.1 13.4 1.0
CB A:ILE55 3.5 15.7 1.0
C A:LEU83 3.5 14.2 1.0
CG2 A:ILE55 3.6 16.1 1.0
O A:THR40 3.6 11.6 1.0
CB A:SER91 3.7 20.1 1.0
CG2 A:THR40 3.7 12.1 1.0
CA A:THR40 3.8 12.0 1.0
CA A:GLY54 3.8 12.1 1.0
CA A:ILE55 3.9 14.7 1.0
O A:SER85 3.9 17.2 1.0
CB A:THR40 3.9 12.1 1.0
C A:GLY54 4.0 12.8 1.0
C A:THR40 4.2 12.0 1.0
O A:HOH347 4.2 17.4 1.0
CA A:LEU84 4.4 15.6 1.0
N A:LEU84 4.4 14.8 1.0
CA A:LEU83 4.4 14.4 1.0
C A:LEU84 4.6 16.7 1.0
CG2 A:ILE88 4.8 21.2 1.0
CG1 A:ILE55 4.8 16.7 1.0
CB A:LEU83 4.9 14.7 1.0
N A:SER85 4.9 17.5 1.0
N A:THR40 4.9 11.4 1.0
O A:LEU84 5.0 17.4 1.0

Reference:

C.G.Roessler, R.Agarwal, M.Allaire, R.Alonso-Mori, B.Andi, J.F.Bachega, M.Bommer, A.S.Brewster, M.C.Browne, R.Chatterjee, E.Cho, A.E.Cohen, M.Cowan, S.Datwani, V.L.Davidson, J.Defever, B.Eaton, R.Ellson, Y.Feng, L.P.Ghislain, J.M.Glownia, G.Han, J.Hattne, J.Hellmich, A.Heroux, M.Ibrahim, J.Kern, A.Kuczewski, H.T.Lemke, P.Liu, L.Majlof, W.M.Mcclintock, S.Myers, S.Nelsen, J.Olechno, A.M.Orville, N.K.Sauter, A.S.Soares, S.M.Soltis, H.Song, R.G.Stearns, R.Tran, Y.Tsai, M.Uervirojnangkoorn, C.M.Wilmot, V.Yachandra, J.Yano, E.T.Yukl, D.Zhu, A.Zouni. Acoustic Injectors For Drop-on-Demand Serial Femtosecond Crystallography. Structure V. 24 631 2016.
ISSN: ISSN 0969-2126
PubMed: 26996959
DOI: 10.1016/J.STR.2016.02.007
Page generated: Sat Jul 12 01:57:11 2025

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