Chlorine in PDB 6irj: Crystal Structure of Lysozyme By Fixed-Target Serial Femtosecond Crystallography

All present enzymatic activity of Crystal Structure of Lysozyme By Fixed-Target Serial Femtosecond Crystallography:
3.2.1.17;

The structure of Crystal Structure of Lysozyme By Fixed-Target Serial Femtosecond Crystallography, PDB code: 6irj was solved by K.H.Nam, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	55.31 / 1.65
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	78.220, 78.220, 37.760, 90.00, 90.00, 90.00
R / Rfree (%)	20.5 / 22.9

The structure of Crystal Structure of Lysozyme By Fixed-Target Serial Femtosecond Crystallography also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Chlorine atom in the Crystal Structure of Lysozyme By Fixed-Target Serial Femtosecond Crystallography (pdb code 6irj). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Lysozyme By Fixed-Target Serial Femtosecond Crystallography, PDB code: 6irj:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Lysozyme By Fixed-Target 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 Crystal Structure of Lysozyme By Fixed-Target Serial Femtosecond Crystallography within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl202 b:41.6 occ:1.00 HH A:TYR41 2.3 37.9 1.0 OH A:TYR41 2.9 31.6 1.0 HE2 A:TYR41 3.2 38.3 1.0 HA3 A:GLY122 3.3 42.7 1.0 O A:HOH318 3.3 40.4 1.0 CZ A:TYR41 3.6 30.7 1.0 CE2 A:TYR41 3.6 31.9 1.0 HA2 A:GLY122 4.0 42.7 1.0 CA A:GLY122 4.1 35.6 1.0 O A:ARG39 4.6 37.8 1.0 N A:GLY122 4.7 32.7 1.0 O A:HOH317 4.7 46.9 1.0 H A:MET123 4.7 37.1 1.0 CE1 A:TYR41 4.8 31.0 1.0 H A:GLY122 4.8 39.3 1.0 HB3 A:ARG39 4.9 49.7 1.0 CD2 A:TYR41 4.9 31.2 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Lysozyme By Fixed-Target 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 Crystal Structure of Lysozyme By Fixed-Target Serial Femtosecond Crystallography within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl203 b:47.4 occ:1.00 H A:GLY44 2.2 39.0 1.0 HG A:SER42 2.5 48.0 1.0 HA A:GLN139 2.7 50.1 1.0 HA3 A:GLY44 2.8 37.4 1.0 HB2 A:SER42 2.9 45.2 1.0 OG A:SER42 3.0 40.0 1.0 N A:GLY44 3.0 32.5 1.0 HD11 A:ILE142 3.0 61.2 1.0 HG23 A:VAL138 3.3 47.5 1.0 CA A:GLY44 3.4 31.2 1.0 CB A:SER42 3.4 37.6 1.0 HG12 A:ILE142 3.5 48.1 1.0 CA A:GLN139 3.6 41.8 1.0 HD13 A:ILE142 3.6 61.2 1.0 HG2 A:GLN139 3.6 63.1 1.0 CD1 A:ILE142 3.7 51.0 1.0 HB2 A:GLN139 3.7 55.5 1.0 N A:GLN139 3.9 39.6 1.0 H A:LEU43 3.9 41.4 1.0 HA2 A:GLY44 4.0 37.4 1.0 N A:LEU43 4.0 34.5 1.0 CB A:GLN139 4.0 46.2 1.0 HB3 A:SER42 4.1 45.2 1.0 CG1 A:ILE142 4.1 40.1 1.0 C A:SER42 4.1 37.5 1.0 H A:ASN45 4.2 36.9 1.0 H A:GLN139 4.2 47.6 1.0 C A:LEU43 4.2 30.6 1.0 CG A:GLN139 4.2 52.6 1.0 C A:VAL138 4.2 38.9 1.0 HB3 A:LEU43 4.2 43.5 1.0 O A:VAL138 4.3 38.5 1.0 CG2 A:VAL138 4.3 39.6 1.0 HG3 A:GLN139 4.4 63.1 1.0 CA A:SER42 4.4 36.1 1.0 HG21 A:VAL138 4.5 47.5 1.0 C A:GLY44 4.5 31.9 1.0 HG13 A:ILE142 4.5 48.1 1.0 HD12 A:ILE142 4.5 61.2 1.0 O A:SER42 4.6 33.8 1.0 CA A:LEU43 4.6 31.5 1.0 N A:ASN45 4.6 30.8 1.0 C A:GLN139 4.8 39.6 1.0 HB A:VAL138 4.8 47.9 1.0 HG22 A:VAL138 4.8 47.5 1.0 HG21 A:ILE142 4.9 46.8 1.0 CB A:LEU43 4.9 36.2 1.0 HB3 A:GLN139 4.9 55.5 1.0 HA A:SER42 5.0 43.4 1.0

D.Lee, S.Baek, J.Park, K.Lee, J.Kim, S.J.Lee, W.K.Chung, J.L.Lee, Y.Cho, K.H.Nam. Nylon Mesh-Based Sample Holder For Fixed-Target Serial Femtosecond Crystallography. Sci Rep V. 9 6971 2019.
ISSN: ESSN 2045-2322
PubMed: 31061502
DOI: 10.1038/S41598-019-43485-Z