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Chlorine in PDB 4zix: Structure of Hewl Using Serial Femtosecond Crystallography of Soluble Proteins in Lipidic Cubic Phase

Enzymatic activity of Structure of Hewl Using Serial Femtosecond Crystallography of Soluble Proteins in Lipidic Cubic Phase

All present enzymatic activity of Structure of Hewl Using Serial Femtosecond Crystallography of Soluble Proteins in Lipidic Cubic Phase:
3.2.1.17;

Protein crystallography data

The structure of Structure of Hewl Using Serial Femtosecond Crystallography of Soluble Proteins in Lipidic Cubic Phase, PDB code: 4zix was solved by R.Fromme, A.Ishchenko, M.Metz, S.Roy-Chowdhury, S.Basu, S.Boutet, P.Fromme, T.A.White, A.Barty, J.C.H.Spence, U.Weierstall, W.Liu, V.Cherezov, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 27.97 / 1.89
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 79.100, 79.100, 38.600, 90.00, 90.00, 90.00
R / Rfree (%) 16.5 / 19.1

Other elements in 4zix:

The structure of Structure of Hewl Using Serial Femtosecond Crystallography of Soluble Proteins in Lipidic Cubic Phase also contains other interesting chemical elements:

Sodium (Na) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Structure of Hewl Using Serial Femtosecond Crystallography of Soluble Proteins in Lipidic Cubic Phase (pdb code 4zix). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Structure of Hewl Using Serial Femtosecond Crystallography of Soluble Proteins in Lipidic Cubic Phase, PDB code: 4zix:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 4zix

Go back to Chlorine Binding Sites List in 4zix
Chlorine binding site 1 out of 3 in the Structure of Hewl Using Serial Femtosecond Crystallography of Soluble Proteins in Lipidic Cubic Phase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Hewl Using Serial Femtosecond Crystallography of Soluble Proteins in Lipidic Cubic Phase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl201

b:36.5
occ:1.00
H A:GLY26 2.3 25.3 1.0
HG A:SER24 2.7 34.4 1.0
HA A:GLN121 2.8 36.1 1.0
HA3 A:GLY26 2.8 31.1 1.0
HB2 A:SER24 2.9 29.5 1.0
OG A:SER24 3.1 28.6 1.0
N A:GLY26 3.1 21.1 1.0
HD11 A:ILE124 3.1 44.7 1.0
CA A:GLY26 3.4 25.9 1.0
HG23 A:VAL120 3.4 41.7 1.0
CB A:SER24 3.5 24.6 1.0
HG2 A:GLN121 3.5 65.8 1.0
HD13 A:ILE124 3.5 44.7 1.0
CA A:GLN121 3.7 30.1 1.0
CD1 A:ILE124 3.7 37.2 1.0
HB2 A:GLN121 3.8 46.8 1.0
HG12 A:ILE124 3.9 39.3 1.0
H A:LEU25 4.0 31.6 1.0
HA2 A:GLY26 4.0 31.1 1.0
N A:LEU25 4.1 26.4 1.0
N A:GLN121 4.1 27.7 1.0
CB A:GLN121 4.1 39.0 1.0
HB3 A:SER24 4.1 29.5 1.0
CG A:GLN121 4.2 54.9 1.0
C A:SER24 4.2 29.5 1.0
H A:ASN27 4.2 26.2 1.0
C A:LEU25 4.3 22.0 1.0
HB3 A:LEU25 4.3 34.7 1.0
CG2 A:VAL120 4.4 34.7 1.0
CG1 A:ILE124 4.4 32.7 1.0
H A:GLN121 4.4 33.2 1.0
C A:VAL120 4.4 33.9 1.0
O A:VAL120 4.4 27.1 1.0
CA A:SER24 4.5 24.4 1.0
HG21 A:VAL120 4.5 41.7 1.0
HG3 A:GLN121 4.5 65.8 1.0
C A:GLY26 4.5 25.4 1.0
HD12 A:ILE124 4.6 44.7 1.0
CA A:LEU25 4.6 23.7 1.0
O A:SER24 4.6 25.4 1.0
N A:ASN27 4.7 21.8 1.0
HB A:VAL120 4.8 31.5 1.0
HG13 A:ILE124 4.8 39.3 1.0
C A:GLN121 4.8 28.4 1.0
HG22 A:VAL120 4.9 41.7 1.0
CB A:LEU25 5.0 28.9 1.0
HA A:SER24 5.0 29.3 1.0

Chlorine binding site 2 out of 3 in 4zix

Go back to Chlorine Binding Sites List in 4zix
Chlorine binding site 2 out of 3 in the Structure of Hewl Using Serial Femtosecond Crystallography of Soluble Proteins in Lipidic Cubic Phase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of Hewl Using Serial Femtosecond Crystallography of Soluble Proteins in Lipidic Cubic Phase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl202

b:37.4
occ:1.00
H A:THR69 2.4 29.4 1.0
O A:HOH343 3.0 24.8 1.0
HA2 A:GLY67 3.1 35.4 1.0
H A:GLY67 3.2 27.9 1.0
N A:THR69 3.2 24.5 1.0
O A:THR69 3.3 30.8 1.0
H A:ARG68 3.4 28.9 1.0
O A:HOH356 3.5 49.9 1.0
C A:THR69 3.5 24.5 1.0
N A:ARG68 3.6 24.0 1.0
CA A:GLY67 3.6 29.5 1.0
C A:GLY67 3.6 34.1 1.0
OD1 A:ASN65 3.7 31.7 1.0
N A:GLY67 3.7 23.2 1.0
HB A:THR69 3.7 30.0 1.0
OG A:SER72 3.8 26.6 1.0
CA A:THR69 3.9 25.6 1.0
HA A:PRO70 4.2 34.4 1.0
N A:PRO70 4.2 28.6 1.0
O A:HOH363 4.2 26.2 1.0
H A:ASP66 4.3 29.3 1.0
C A:ARG68 4.3 28.1 1.0
OD1 A:ASP66 4.3 22.4 1.0
CB A:THR69 4.3 25.0 1.0
O A:GLY67 4.4 33.7 1.0
CA A:ARG68 4.4 25.7 1.0
HA A:ARG68 4.5 30.8 1.0
HG1 A:THR69 4.5 30.9 1.0
HA3 A:GLY67 4.5 35.4 1.0
CA A:PRO70 4.7 28.7 1.0
H A:SER72 4.7 37.7 1.0
HA A:THR69 4.8 30.7 1.0
HA A:ASN65 4.8 25.0 1.0
CG A:ASN65 4.8 32.1 1.0
HD3 A:PRO70 4.8 38.8 1.0
C A:ASP66 4.9 24.3 1.0
NA A:NA204 4.9 24.0 1.0
N A:ASP66 4.9 24.4 1.0
OG1 A:THR69 5.0 25.8 1.0

Chlorine binding site 3 out of 3 in 4zix

Go back to Chlorine Binding Sites List in 4zix
Chlorine binding site 3 out of 3 in the Structure of Hewl Using Serial Femtosecond Crystallography of Soluble Proteins in Lipidic Cubic Phase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structure of Hewl Using Serial Femtosecond Crystallography of Soluble Proteins in Lipidic Cubic Phase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl203

b:31.3
occ:1.00
HH A:TYR23 2.4 27.0 1.0
OH A:TYR23 3.1 22.5 1.0
HE2 A:TYR23 3.2 29.9 1.0
O A:HOH346 3.3 30.9 1.0
HA3 A:GLY104 3.4 30.6 1.0
CE2 A:TYR23 3.7 24.9 1.0
CZ A:TYR23 3.7 18.9 1.0
HA2 A:GLY104 4.1 30.6 1.0
CA A:GLY104 4.2 25.5 1.0
O A:ARG21 4.7 26.8 1.0
N A:GLY104 4.8 22.4 1.0
O A:HOH317 4.8 34.8 1.0
H A:MET105 4.8 25.4 1.0
CD2 A:TYR23 4.9 20.0 1.0
HB3 A:ARG21 4.9 32.4 1.0
H A:GLY104 4.9 26.9 1.0
CE1 A:TYR23 4.9 21.3 1.0

Reference:

R.Fromme, A.Ishchenko, M.Metz, S.Roy-Chowdhury, S.Basu, S.Boutet, P.Fromme, T.A.White, A.Barty, J.C.H.Spence, U.Weierstall, W.Liu, V.Cherezov. Serial Femtosecond Crystallography of Soluble Proteins in Lipidic Cubic Phase Iucrj V. 2 545 2015.
ISSN: ESSN 2052-2525
DOI: 10.1107/S2052252515013160
Page generated: Sat Dec 12 11:28:21 2020

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