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Chlorine in PDB 3txj: Hewl Co-Crystallization with Nag with Silicone Oil As the Cryoprotectant

Enzymatic activity of Hewl Co-Crystallization with Nag with Silicone Oil As the Cryoprotectant

All present enzymatic activity of Hewl Co-Crystallization with Nag with Silicone Oil As the Cryoprotectant:
3.2.1.17;

Protein crystallography data

The structure of Hewl Co-Crystallization with Nag with Silicone Oil As the Cryoprotectant, PDB code: 3txj was solved by S.W.M.Tanley, A.M.M.Schreurs, J.R.Helliwell, L.M.J.Kroon-Batenburg, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 55.53 / 2.48
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 78.527, 78.527, 36.722, 90.00, 90.00, 90.00
R / Rfree (%) 22.3 / 28.9

Other elements in 3txj:

The structure of Hewl Co-Crystallization with Nag with Silicone Oil As the Cryoprotectant also contains other interesting chemical elements:

Sodium (Na) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Hewl Co-Crystallization with Nag with Silicone Oil As the Cryoprotectant (pdb code 3txj). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 8 binding sites of Chlorine where determined in the Hewl Co-Crystallization with Nag with Silicone Oil As the Cryoprotectant, PDB code: 3txj:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Chlorine binding site 1 out of 8 in 3txj

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Chlorine binding site 1 out of 8 in the Hewl Co-Crystallization with Nag with Silicone Oil As the Cryoprotectant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Hewl Co-Crystallization with Nag with Silicone Oil As the Cryoprotectant within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1130

b:48.4
occ:1.00
 O A:HOH2028 3.0 16.8 1.0
OH A:TYR23 3.2 30.2 1.0
CE2 A:TYR23 3.6 28.9 1.0
CZ A:TYR23 3.7 29.6 1.0
O A:ARG21 4.1 41.2 1.0
CA A:GLY104 4.4 28.1 1.0
CD2 A:TYR23 4.8 30.4 1.0
O A:HOH2109 4.9 25.2 1.0
CE1 A:TYR23 4.9 28.7 1.0

Chlorine binding site 2 out of 8 in 3txj

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Chlorine binding site 2 out of 8 in the Hewl Co-Crystallization with Nag with Silicone Oil As the Cryoprotectant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Hewl Co-Crystallization with Nag with Silicone Oil As the Cryoprotectant within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1131

b:46.8
occ:1.00
 OG A:SER24 3.0 31.2 1.0
N A:GLY26 3.1 30.7 1.0
CA A:GLY26 3.5 31.1 1.0
CB A:SER24 3.5 31.8 1.0
CD1 A:ILE124 3.6 41.5 1.0
CA A:GLN121 3.8 39.8 1.0
CG2 A:VAL120 4.0 37.9 1.0
N A:GLN121 4.0 39.1 1.0
N A:LEU25 4.0 31.4 1.0
CG1 A:ILE124 4.1 40.7 1.0
CB A:GLN121 4.1 40.2 1.0
C A:LEU25 4.2 31.0 1.0
C A:SER24 4.3 31.8 1.0
C A:VAL120 4.3 38.5 1.0
OE1 A:GLN121 4.3 49.0 1.0
O A:VAL120 4.4 38.9 1.0
CA A:SER24 4.6 31.9 1.0
C A:GLY26 4.6 31.4 1.0
CA A:LEU25 4.6 31.1 1.0
N A:ASN27 4.7 31.1 1.0
O A:SER24 4.8 31.8 1.0
CB A:VAL120 4.9 37.7 1.0
CG2 A:ILE124 4.9 39.8 1.0
CD A:GLN121 5.0 47.6 1.0

Chlorine binding site 3 out of 8 in 3txj

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Chlorine binding site 3 out of 8 in the Hewl Co-Crystallization with Nag with Silicone Oil As the Cryoprotectant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Hewl Co-Crystallization with Nag with Silicone Oil As the Cryoprotectant within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1132

b:44.7
occ:1.00
 O A:THR69 3.0 36.3 1.0
N A:THR69 3.0 35.6 1.0
CA A:GLY67 3.3 34.1 1.0
N A:ARG68 3.3 35.4 1.0
C A:THR69 3.5 36.4 1.0
C A:GLY67 3.5 34.9 1.0
N A:GLY67 3.5 33.1 1.0
CA A:THR69 3.7 35.8 1.0
OD1 A:ASN65 3.7 33.3 1.0
OG A:SER72 3.9 36.0 1.0
C A:ARG68 4.0 35.9 1.0
CA A:ARG68 4.1 36.2 1.0
CB A:THR69 4.1 36.0 1.0
OD1 A:ASP66 4.2 27.4 1.0
NA A:NA1138 4.3 39.1 1.0
N A:PRO70 4.3 36.6 1.0
O A:GLY67 4.4 34.8 1.0
OG1 A:THR69 4.5 34.5 1.0
O A:HOH2081 4.5 2.0 0.5
C A:ASP66 4.7 32.7 1.0
CG A:ASN65 4.8 31.2 1.0
CA A:PRO70 4.9 36.8 1.0
N A:ASP66 5.0 31.6 1.0

Chlorine binding site 4 out of 8 in 3txj

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Chlorine binding site 4 out of 8 in the Hewl Co-Crystallization with Nag with Silicone Oil As the Cryoprotectant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Hewl Co-Crystallization with Nag with Silicone Oil As the Cryoprotectant within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1133

b:44.2
occ:1.00
 N A:ILE88 3.5 31.6 1.0
CG1 A:ILE88 3.6 29.7 1.0
OD1 A:ASP87 3.6 34.6 1.0
CE1 A:HIS15 3.6 38.4 1.0
NH1 A:ARG14 3.9 42.8 1.0
CA A:ASP87 4.0 32.0 1.0
CG A:ASP87 4.0 33.8 1.0
O A:HOH2097 4.1 26.2 1.0
C A:ASP87 4.2 31.9 1.0
NH2 A:ARG14 4.2 46.0 1.0
ND1 A:HIS15 4.4 38.2 1.0
CB A:ILE88 4.4 30.7 1.0
CA A:ILE88 4.5 31.2 1.0
OD2 A:ASP87 4.5 36.6 1.0
CB A:ASP87 4.5 32.2 1.0
CZ A:ARG14 4.5 44.0 1.0
NE2 A:HIS15 4.6 39.1 1.0
CD1 A:ILE88 4.6 28.4 1.0
O A:SER86 4.7 30.7 1.0
CB A:ALA11 4.7 32.5 1.0
N A:THR89 4.7 31.8 1.0
OG1 A:THR89 4.7 33.2 1.0
CG2 A:ILE88 4.7 30.0 1.0
C A:ILE88 5.0 31.5 1.0

Chlorine binding site 5 out of 8 in 3txj

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Chlorine binding site 5 out of 8 in the Hewl Co-Crystallization with Nag with Silicone Oil As the Cryoprotectant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Hewl Co-Crystallization with Nag with Silicone Oil As the Cryoprotectant within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1134

b:52.1
occ:1.00
 NZ A:LYS33 3.5 34.0 1.0
CE2 A:PHE38 3.7 31.4 1.0
CZ3 A:TRP123 3.8 26.2 1.0
CD A:LYS33 3.9 28.1 1.0
CD A:ARG5 4.0 36.7 1.0
CE A:LYS33 4.3 31.0 1.0
CZ A:PHE38 4.3 30.9 1.0
CG A:ARG5 4.4 34.7 1.0
CB A:ARG5 4.4 32.9 1.0
CE3 A:TRP123 4.4 27.8 1.0
CD2 A:PHE38 4.6 29.9 1.0
NE A:ARG5 4.6 37.9 1.0
CH2 A:TRP123 4.8 27.2 1.0

Chlorine binding site 6 out of 8 in 3txj

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Chlorine binding site 6 out of 8 in the Hewl Co-Crystallization with Nag with Silicone Oil As the Cryoprotectant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Hewl Co-Crystallization with Nag with Silicone Oil As the Cryoprotectant within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1135

b:58.4
occ:1.00
 O A:HOH2085 2.9 30.1 1.0
ND2 A:ASN65 3.5 29.1 1.0
CB A:PRO79 3.6 33.3 1.0
CA A:PRO79 3.9 33.4 1.0
N A:PRO79 4.1 34.1 1.0
CD A:PRO79 4.2 34.0 1.0
CB A:ASN65 4.3 30.9 1.0
CG A:PRO79 4.3 33.5 1.0
CG A:ASN65 4.4 31.2 1.0
O A:ASN65 4.4 30.9 1.0
C A:ILE78 4.8 35.2 1.0
O A:ILE78 5.0 35.3 1.0

Chlorine binding site 7 out of 8 in 3txj

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Chlorine binding site 7 out of 8 in the Hewl Co-Crystallization with Nag with Silicone Oil As the Cryoprotectant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Hewl Co-Crystallization with Nag with Silicone Oil As the Cryoprotectant within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1136

b:83.2
occ:1.00
 O A:ASN74 4.0 37.2 1.0
OD1 A:ASN77 4.1 43.1 1.0
NH2 A:ARG73 4.3 46.2 1.0

Chlorine binding site 8 out of 8 in 3txj

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Chlorine binding site 8 out of 8 in the Hewl Co-Crystallization with Nag with Silicone Oil As the Cryoprotectant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Hewl Co-Crystallization with Nag with Silicone Oil As the Cryoprotectant within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1137

b:47.8
occ:1.00
 NH2 A:ARG45 3.3 44.0 1.0
CD A:ARG68 3.6 48.2 1.0
NH1 A:ARG68 4.1 61.1 1.0
NE A:ARG68 4.3 55.2 1.0
CZ A:ARG45 4.4 42.6 1.0
CZ A:ARG68 4.5 59.1 1.0
CG A:ARG68 4.6 39.9 1.0
CB A:ARG68 4.6 36.3 1.0
NH1 A:ARG45 4.7 42.8 1.0

Reference:

S.W.Tanley, A.M.Schreurs, J.R.Helliwell, L.M.Kroon-Batenburg. Experience with Exchange and Archiving of Raw Data: Comparison of Data From Two Diffractometers and Four Software Packages on A Series of Lysozyme Crystals. J.Appl.Crystallogr. V. 46 108 2013.
ISSN: ISSN 0021-8898
PubMed: 23396873
DOI: 10.1107/S0021889812044172
Page generated: Sat Dec 12 10:13:31 2020

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