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Chlorine in PDB 5kki: 1.7-Angstrom in Situ Mylar Structure of Hen Egg-White Lysozyme (Hewl) at 100 K

Enzymatic activity of 1.7-Angstrom in Situ Mylar Structure of Hen Egg-White Lysozyme (Hewl) at 100 K

All present enzymatic activity of 1.7-Angstrom in Situ Mylar Structure of Hen Egg-White Lysozyme (Hewl) at 100 K:
3.2.1.17;

Protein crystallography data

The structure of 1.7-Angstrom in Situ Mylar Structure of Hen Egg-White Lysozyme (Hewl) at 100 K, PDB code: 5kki was solved by J.Broecker, O.P.Ernst, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 38.91 / 1.70
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 77.820, 77.820, 38.680, 90.00, 90.00, 90.00
R / Rfree (%) 16.1 / 21

Other elements in 5kki:

The structure of 1.7-Angstrom in Situ Mylar Structure of Hen Egg-White Lysozyme (Hewl) at 100 K also contains other interesting chemical elements:

Sodium (Na) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the 1.7-Angstrom in Situ Mylar Structure of Hen Egg-White Lysozyme (Hewl) at 100 K (pdb code 5kki). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the 1.7-Angstrom in Situ Mylar Structure of Hen Egg-White Lysozyme (Hewl) at 100 K, PDB code: 5kki:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in 5kki

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Chlorine binding site 1 out of 5 in the 1.7-Angstrom in Situ Mylar Structure of Hen Egg-White Lysozyme (Hewl) at 100 K


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of 1.7-Angstrom in Situ Mylar Structure of Hen Egg-White Lysozyme (Hewl) at 100 K within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl202

b:29.3
occ:1.00
 O A:HOH352 3.2 19.5 1.0
N A:THR69 3.2 19.5 1.0
O A:THR69 3.4 19.6 1.0
N A:ARG68 3.5 17.2 1.0
C A:THR69 3.6 21.2 1.0
C A:GLY67 3.6 21.4 1.0
OD1 A:ASN65 3.6 22.4 1.0
CA A:GLY67 3.6 20.2 1.0
N A:GLY67 3.7 19.6 1.0
OG A:SER72 3.8 22.4 1.0
CA A:THR69 3.8 20.2 1.0
O A:HOH382 4.1 17.8 1.0
C A:ARG68 4.2 18.9 1.0
CB A:THR69 4.2 18.2 1.0
O A:GLY67 4.2 21.9 1.0
OD1 A:ASP66 4.2 16.5 1.0
N A:PRO70 4.2 21.1 1.0
CA A:ARG68 4.3 17.6 1.0
NA A:NA201 4.7 19.2 1.0
CA A:PRO70 4.8 25.6 1.0
OG1 A:THR69 4.8 18.8 1.0
C A:ASP66 4.8 16.9 1.0
CG A:ASN65 4.8 22.9 1.0
N A:ASP66 4.9 13.8 1.0

Chlorine binding site 2 out of 5 in 5kki

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Chlorine binding site 2 out of 5 in the 1.7-Angstrom in Situ Mylar Structure of Hen Egg-White Lysozyme (Hewl) at 100 K


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of 1.7-Angstrom in Situ Mylar Structure of Hen Egg-White Lysozyme (Hewl) at 100 K within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl203

b:31.3
occ:1.00
 N A:ILE88 3.4 18.3 1.0
NH2 A:ARG14 3.6 24.9 1.0
CG1 A:ILE88 3.7 18.0 1.0
O A:HOH336 3.8 28.8 1.0
OD1 A:ASP87 3.8 25.2 1.0
CE1 A:HIS15 3.9 22.5 1.0
CA A:ASP87 4.0 19.8 1.0
CB A:ALA11 4.1 16.9 1.0
C A:ASP87 4.2 18.8 1.0
O A:SER86 4.2 21.9 1.0
CB A:ILE88 4.3 16.2 1.0
CG2 A:ILE88 4.3 20.0 1.0
CZ A:PHE3 4.3 26.8 1.0
CA A:ILE88 4.4 15.6 1.0
CG A:ASP87 4.4 26.7 1.0
CD1 A:ILE88 4.6 23.4 1.0
ND1 A:HIS15 4.6 24.8 1.0
CB A:ASP87 4.7 21.2 1.0
CE2 A:PHE3 4.8 20.0 1.0
CZ A:ARG14 4.8 23.1 1.0
NE2 A:HIS15 4.9 25.1 1.0
N A:THR89 5.0 17.5 1.0
N A:ASP87 5.0 20.8 1.0

Chlorine binding site 3 out of 5 in 5kki

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Chlorine binding site 3 out of 5 in the 1.7-Angstrom in Situ Mylar Structure of Hen Egg-White Lysozyme (Hewl) at 100 K


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of 1.7-Angstrom in Situ Mylar Structure of Hen Egg-White Lysozyme (Hewl) at 100 K within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl204

b:19.6
occ:1.00
 OH A:TYR23 2.9 15.1 1.0
O A:HOH362 3.3 22.3 1.0
CZ A:TYR23 3.7 12.7 1.0
CE2 A:TYR23 3.7 14.1 1.0
CA A:GLY104 4.1 12.7 1.0
O A:ARG21 4.5 18.6 1.0
N A:GLY104 4.7 16.5 1.0
CE1 A:TYR23 4.8 11.2 1.0
CD2 A:TYR23 4.9 15.0 1.0
O A:HOH313 5.0 21.4 1.0

Chlorine binding site 4 out of 5 in 5kki

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Chlorine binding site 4 out of 5 in the 1.7-Angstrom in Situ Mylar Structure of Hen Egg-White Lysozyme (Hewl) at 100 K


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of 1.7-Angstrom in Situ Mylar Structure of Hen Egg-White Lysozyme (Hewl) at 100 K within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl205

b:22.2
occ:1.00
 OG A:SER24 3.0 19.5 1.0
N A:GLY26 3.2 14.7 1.0
O A:HOH411 3.3 28.6 1.0
CA A:GLY26 3.4 16.2 1.0
CB A:SER24 3.5 17.8 1.0
CA A:GLN121 3.6 19.5 1.0
CD1 A:ILE124 3.7 28.2 1.0
CB A:GLN121 4.0 20.4 1.0
N A:GLN121 4.1 24.3 1.0
CG A:GLN121 4.1 29.4 1.0
CG1 A:ILE124 4.3 21.5 1.0
N A:LEU25 4.3 16.2 1.0
C A:SER24 4.3 17.0 1.0
C A:LEU25 4.4 15.2 1.0
C A:VAL120 4.4 21.3 1.0
O A:VAL120 4.4 18.4 1.0
CG2 A:VAL120 4.5 22.5 1.0
C A:GLY26 4.5 16.7 1.0
CA A:SER24 4.6 15.8 1.0
N A:ASN27 4.7 15.5 1.0
CA A:LEU25 4.8 15.1 1.0
O A:SER24 4.8 14.8 1.0
C A:GLN121 4.8 23.1 1.0
O A:HOH356 4.9 21.1 1.0

Chlorine binding site 5 out of 5 in 5kki

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Chlorine binding site 5 out of 5 in the 1.7-Angstrom in Situ Mylar Structure of Hen Egg-White Lysozyme (Hewl) at 100 K


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of 1.7-Angstrom in Situ Mylar Structure of Hen Egg-White Lysozyme (Hewl) at 100 K within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl206

b:37.8
occ:1.00
 NH1 A:ARG68 3.0 25.8 1.0
CD A:ARG68 3.6 27.0 1.0
CZ A:ARG68 4.1 32.5 1.0
NE A:ARG68 4.3 30.4 1.0
CG A:ARG68 4.8 22.5 1.0
NH1 A:ARG45 4.8 39.6 1.0
CB A:ARG68 4.8 23.1 1.0

Reference:

J.Broecker, V.Klingel, W.L.Ou, A.R.Balo, D.J.Kissick, C.M.Ogata, A.Kuo, O.P.Ernst. A Versatile System For High-Throughput in Situ X-Ray Screening and Data Collection of Soluble and Membrane-Protein Crystals. Cryst Growth Des V. 16 6318 2016.
ISSN: ISSN 1528-7483
PubMed: 28261000
DOI: 10.1021/ACS.CGD.6B00950
Page generated: Fri Jul 26 10:43:38 2024

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