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Chlorine in PDB 6a4n: Hewl Crystals Soaked in 2.5M Guhcl For 8 Minutes

Enzymatic activity of Hewl Crystals Soaked in 2.5M Guhcl For 8 Minutes

All present enzymatic activity of Hewl Crystals Soaked in 2.5M Guhcl For 8 Minutes:
3.2.1.17;

Protein crystallography data

The structure of Hewl Crystals Soaked in 2.5M Guhcl For 8 Minutes, PDB code: 6a4n was solved by R.Tushar, R.M.Kini, C.Y.Koh, M.V.Hosur, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 55.31 / 1.75
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 78.220, 78.220, 36.870, 90.00, 90.00, 90.00
R / Rfree (%) 16.3 / 20.7

Other elements in 6a4n:

The structure of Hewl Crystals Soaked in 2.5M Guhcl For 8 Minutes also contains other interesting chemical elements:

Sodium (Na) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Hewl Crystals Soaked in 2.5M Guhcl For 8 Minutes (pdb code 6a4n). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the Hewl Crystals Soaked in 2.5M Guhcl For 8 Minutes, PDB code: 6a4n:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in 6a4n

Go back to Chlorine Binding Sites List in 6a4n
Chlorine binding site 1 out of 6 in the Hewl Crystals Soaked in 2.5M Guhcl For 8 Minutes


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Hewl Crystals Soaked in 2.5M Guhcl For 8 Minutes within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl201

b:17.0
occ:1.00
 OH A:TYR23 3.0 9.5 1.0
O A:HOH388 3.1 36.0 1.0
O A:HOH335 3.4 12.6 1.0
CZ A:TYR23 3.7 9.8 1.0
CE2 A:TYR23 3.7 9.7 1.0
CA A:GLY104 4.2 13.2 1.0
O A:ARG21 4.5 15.3 1.0
O A:HOH325 4.7 24.1 1.0
N A:GLY104 4.9 13.7 1.0
CE1 A:TYR23 4.9 9.5 1.0
CD2 A:TYR23 4.9 10.0 1.0

Chlorine binding site 2 out of 6 in 6a4n

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Chlorine binding site 2 out of 6 in the Hewl Crystals Soaked in 2.5M Guhcl For 8 Minutes


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Hewl Crystals Soaked in 2.5M Guhcl For 8 Minutes within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl208

b:39.3
occ:1.00
 NE2 A:GLN121 2.2 32.9 1.0
O A:HOH381 3.0 10.2 1.0
N1 A:GAI204 3.1 20.0 1.0
N2 A:GAI204 3.2 20.8 1.0
CD A:GLN121 3.4 32.0 1.0
C A:GAI204 3.6 19.8 1.0
CG1 A:ILE124 3.9 13.9 1.0
O A:ILE124 3.9 14.4 1.0
CD1 A:ILE124 4.0 14.7 1.0
CG A:GLN121 4.0 28.4 1.0
CA A:ARG125 4.2 16.8 1.0
C A:ILE124 4.2 14.6 1.0
OE1 A:GLN121 4.4 38.0 1.0
N A:ARG125 4.4 15.1 1.0
O A:GLN121 4.7 16.5 1.0
CB A:ILE124 4.8 13.9 1.0
N3 A:GAI204 4.9 19.8 1.0
N A:GLY126 5.0 16.3 1.0

Chlorine binding site 3 out of 6 in 6a4n

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Chlorine binding site 3 out of 6 in the Hewl Crystals Soaked in 2.5M Guhcl For 8 Minutes


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Hewl Crystals Soaked in 2.5M Guhcl For 8 Minutes within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl209

b:34.9
occ:1.00
 O A:ASP87 2.7 16.6 1.0
N A:ALA90 3.0 13.5 1.0
OG A:SER85 3.1 20.9 0.5
O A:HOH315 3.1 27.4 1.0
N A:THR89 3.4 14.1 1.0
CB A:ALA90 3.5 13.8 1.0
O A:HOH355 3.6 9.9 1.0
C A:ASP87 3.6 17.1 1.0
CB A:THR89 3.7 15.4 1.0
CA A:THR89 3.8 14.3 1.0
CA A:ALA90 3.8 13.3 1.0
C A:THR89 3.8 13.7 1.0
OD1 A:ASP87 3.9 24.5 1.0
C A:ILE88 4.0 13.8 1.0
CB A:ASP87 4.1 21.2 1.0
CG A:ASP87 4.2 24.1 1.0
CB A:SER85 4.2 20.1 0.5
CB A:SER85 4.2 18.9 0.5
O A:ALA82 4.3 17.5 1.0
N A:ILE88 4.3 15.7 1.0
OG A:SER85 4.4 18.1 0.5
CA A:ILE88 4.4 14.5 1.0
OG1 A:THR89 4.4 16.5 1.0
CA A:ASP87 4.5 18.9 1.0
O A:ILE88 4.7 12.9 1.0
N A:SER91 4.8 11.5 1.0
CG2 A:THR89 4.8 16.0 1.0
C A:ALA90 4.9 12.3 1.0

Chlorine binding site 4 out of 6 in 6a4n

Go back to Chlorine Binding Sites List in 6a4n
Chlorine binding site 4 out of 6 in the Hewl Crystals Soaked in 2.5M Guhcl For 8 Minutes


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Hewl Crystals Soaked in 2.5M Guhcl For 8 Minutes within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl210

b:28.4
occ:1.00
 N A:ILE88 3.3 15.7 1.0
O A:HOH333 3.4 29.2 1.0
CG1 A:ILE88 3.7 13.8 1.0
NH2 A:ARG14 3.7 30.5 1.0
OD1 A:ASP87 3.7 24.5 1.0
CA A:ASP87 3.8 18.9 1.0
CE1 A:HIS15 3.9 20.5 1.0
C A:ASP87 4.1 17.1 1.0
CG A:ASP87 4.1 24.1 1.0
O A:SER86 4.3 20.4 1.0
CB A:ALA11 4.3 13.8 1.0
CB A:ILE88 4.3 14.0 1.0
CA A:ILE88 4.4 14.5 1.0
CG2 A:ILE88 4.4 13.8 1.0
CZ A:PHE3 4.4 13.2 1.0
CB A:ASP87 4.5 21.2 1.0
ND1 A:HIS15 4.6 20.6 1.0
CD1 A:ILE88 4.6 13.6 1.0
OD2 A:ASP87 4.8 29.1 1.0
NE2 A:HIS15 4.8 20.8 1.0
N A:ASP87 4.9 18.6 1.0
CZ A:ARG14 4.9 30.8 1.0
N A:THR89 5.0 14.1 1.0
CE2 A:PHE3 5.0 12.9 1.0

Chlorine binding site 5 out of 6 in 6a4n

Go back to Chlorine Binding Sites List in 6a4n
Chlorine binding site 5 out of 6 in the Hewl Crystals Soaked in 2.5M Guhcl For 8 Minutes


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Hewl Crystals Soaked in 2.5M Guhcl For 8 Minutes within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl211

b:20.6
occ:1.00
 OG A:SER24 3.0 12.0 1.0
N A:GLY26 3.1 9.9 1.0
CB A:SER24 3.4 11.4 1.0
CA A:GLY26 3.5 9.7 1.0
CA A:GLN121 3.6 19.9 1.0
CD1 A:ILE124 3.9 14.7 1.0
N A:GLN121 4.0 18.3 1.0
CB A:GLN121 4.1 23.8 1.0
N A:LEU25 4.1 10.8 1.0
C A:SER24 4.2 10.9 1.0
CG1 A:ILE124 4.3 13.9 1.0
C A:VAL120 4.3 17.5 1.0
C A:LEU25 4.3 10.5 1.0
O A:VAL120 4.3 17.0 1.0
CG2 A:VAL120 4.3 15.6 1.0
CG A:GLN121 4.4 28.4 1.0
CA A:SER24 4.5 11.1 1.0
C A:GLY26 4.6 9.4 1.0
CA A:LEU25 4.6 10.9 1.0
O A:SER24 4.7 10.2 1.0
N A:ASN27 4.7 9.4 1.0
C A:GLN121 4.8 17.4 1.0
CB A:LEU25 4.9 11.7 1.0
O A:GLN121 5.0 16.5 1.0

Chlorine binding site 6 out of 6 in 6a4n

Go back to Chlorine Binding Sites List in 6a4n
Chlorine binding site 6 out of 6 in the Hewl Crystals Soaked in 2.5M Guhcl For 8 Minutes


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Hewl Crystals Soaked in 2.5M Guhcl For 8 Minutes within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl212

b:17.5
occ:1.00
 O A:HOH328 3.0 8.2 1.0
N A:THR69 3.3 13.4 1.0
O A:THR69 3.3 11.7 1.0
O A:HOH351 3.4 21.3 1.0
N A:ARG68 3.5 13.7 1.0
C A:GLY67 3.6 13.8 1.0
CA A:GLY67 3.6 12.9 1.0
OD1 A:ASN65 3.6 12.5 1.0
C A:THR69 3.6 12.7 1.0
N A:GLY67 3.7 11.9 1.0
OG A:SER72 3.8 13.2 1.0
CA A:THR69 3.9 12.4 1.0
O A:HOH356 4.1 13.8 1.0
O A:GLY67 4.3 15.2 1.0
CB A:THR69 4.3 12.2 1.0
C A:ARG68 4.3 14.3 1.0
OD1 A:ASP66 4.3 9.4 1.0
CA A:ARG68 4.3 14.7 1.0
N A:PRO70 4.4 13.2 1.0
O A:HOH358 4.7 21.6 0.5
NA A:NA202 4.8 11.6 1.0
C A:ASP66 4.8 11.0 1.0
CG A:ASN65 4.8 11.6 1.0
CA A:PRO70 4.9 13.9 1.0
OG1 A:THR69 4.9 11.3 1.0
N A:ASP66 4.9 10.4 1.0

Reference:

T.Raskar, C.Y.Koh, S.Niebling, R.M.Kini, M.V.Hosur. X-Ray Crystallographic Analysis of Time-Dependent Binding of Guanidine Hydrochloride to Hewl: First Steps During Protein Unfolding. Int. J. Biol. Macromol. V. 122 903 2019.
ISSN: ISSN 1879-0003
PubMed: 30412756
DOI: 10.1016/J.IJBIOMAC.2018.11.023
Page generated: Fri Jul 26 21:53:07 2024

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