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Chlorine in PDB 2xbs: Raman Crystallography of Hen White Egg Lysozyme - High X- Ray Dose (16 Mgy)

Enzymatic activity of Raman Crystallography of Hen White Egg Lysozyme - High X- Ray Dose (16 Mgy)

All present enzymatic activity of Raman Crystallography of Hen White Egg Lysozyme - High X- Ray Dose (16 Mgy):
3.2.1.17;

Protein crystallography data

The structure of Raman Crystallography of Hen White Egg Lysozyme - High X- Ray Dose (16 Mgy), PDB code: 2xbs was solved by P.Carpentier, A.Royant, M.Weik, D.Bourgeois, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 33.57 / 1.37
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 78.770, 78.770, 37.110, 90.00, 90.00, 90.00
R / Rfree (%) 14.734 / 19.258

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Raman Crystallography of Hen White Egg Lysozyme - High X- Ray Dose (16 Mgy) (pdb code 2xbs). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 8 binding sites of Chlorine where determined in the Raman Crystallography of Hen White Egg Lysozyme - High X- Ray Dose (16 Mgy), PDB code: 2xbs:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Chlorine binding site 1 out of 8 in 2xbs

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Chlorine binding site 1 out of 8 in the Raman Crystallography of Hen White Egg Lysozyme - High X- Ray Dose (16 Mgy)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Raman Crystallography of Hen White Egg Lysozyme - High X- Ray Dose (16 Mgy) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1129

b:23.6
occ:1.00
 OG A:SER24 3.1 20.9 1.0
N A:GLY26 3.1 12.2 1.0
CA A:GLY26 3.5 13.4 1.0
CB A:SER24 3.5 15.9 1.0
CA A:GLN121 3.7 19.8 1.0
CD1 A:ILE124 3.8 27.8 1.0
CB A:GLN121 4.0 23.1 1.0
N A:GLN121 4.0 18.0 1.0
CG1 A:ILE124 4.2 22.7 1.0
CG A:GLN121 4.2 27.8 1.0
N A:LEU25 4.2 15.3 1.0
CG2 A:VAL120 4.3 19.5 1.0
C A:VAL120 4.3 17.0 1.0
O A:VAL120 4.3 17.0 1.0
C A:LEU25 4.3 13.5 1.0
C A:SER24 4.4 14.7 1.0
C A:GLY26 4.6 11.3 1.0
CA A:SER24 4.6 15.7 1.0
N A:ASN27 4.7 11.2 1.0
CA A:LEU25 4.7 14.1 1.0
O A:SER24 4.8 14.9 1.0
C A:GLN121 5.0 17.2 1.0

Chlorine binding site 2 out of 8 in 2xbs

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Chlorine binding site 2 out of 8 in the Raman Crystallography of Hen White Egg Lysozyme - High X- Ray Dose (16 Mgy)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Raman Crystallography of Hen White Egg Lysozyme - High X- Ray Dose (16 Mgy) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1130

b:17.6
occ:1.00
 ND2 A:ASN113 3.3 15.2 1.0
CB A:ASN113 3.6 13.9 1.0
CA A:ALA110 3.8 16.3 1.0
CG A:ASN113 4.0 14.6 1.0
O A:VAL109 4.0 16.7 0.5
CD A:ARG114 4.2 12.7 1.0
N A:ALA110 4.2 16.1 1.0
CB A:ALA110 4.3 18.7 1.0
O A:VAL109 4.3 16.1 0.5
CG A:ARG114 4.3 13.0 1.0
C A:VAL109 4.4 17.1 0.5
CG1 A:VAL109 4.4 17.2 0.5
C A:VAL109 4.4 17.4 0.5
C A:ALA110 4.9 14.4 1.0
CA A:ASN113 4.9 12.7 1.0
O A:ALA110 4.9 14.0 1.0

Chlorine binding site 3 out of 8 in 2xbs

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Chlorine binding site 3 out of 8 in the Raman Crystallography of Hen White Egg Lysozyme - High X- Ray Dose (16 Mgy)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Raman Crystallography of Hen White Egg Lysozyme - High X- Ray Dose (16 Mgy) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1131

b:17.9
occ:0.75
 N A:THR69 3.1 14.9 1.0
O A:HOH2088 3.2 15.9 1.0
O A:HOH2092 3.2 39.8 1.0
O A:THR69 3.2 18.4 1.0
O A:HOH2094 3.3 34.5 1.0
N A:ARG68 3.5 13.2 1.0
O A:HOH2085 3.5 30.8 0.5
C A:GLY67 3.5 14.8 1.0
C A:THR69 3.6 16.8 1.0
OG A:SER72 3.7 19.1 0.5
CA A:GLY67 3.7 14.3 1.0
N A:GLY67 3.7 13.7 1.0
OD1 A:ASN65 3.7 17.7 1.0
CA A:THR69 3.7 15.7 1.0
OG A:SER72 3.8 22.3 0.5
O A:HOH2084 4.0 19.1 1.0
C A:ARG68 4.1 16.0 1.0
CB A:THR69 4.1 14.8 1.0
O A:GLY67 4.1 18.6 1.0
CA A:ARG68 4.2 15.7 1.0
OD1 A:ASP66 4.2 12.8 1.0
N A:PRO70 4.4 19.6 0.5
N A:PRO70 4.5 19.4 0.5
O A:HOH2080 4.7 11.6 1.0
OG1 A:THR69 4.8 14.2 1.0
C A:ASP66 4.8 13.3 1.0
CA A:PRO70 4.9 20.4 0.5
N A:ASP66 4.9 11.8 1.0
CL A:CL1132 4.9 26.8 0.3
CG A:ASN65 4.9 16.7 1.0
CB A:SER72 5.0 21.9 0.5
CB A:SER72 5.0 20.3 0.5

Chlorine binding site 4 out of 8 in 2xbs

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Chlorine binding site 4 out of 8 in the Raman Crystallography of Hen White Egg Lysozyme - High X- Ray Dose (16 Mgy)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Raman Crystallography of Hen White Egg Lysozyme - High X- Ray Dose (16 Mgy) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1132

b:26.8
occ:0.30
 O A:HOH2094 2.8 34.5 1.0
N A:GLY71 2.8 22.4 1.0
O A:HOH2092 3.6 39.8 1.0
CA A:PRO70 3.6 20.4 0.5
CA A:GLY71 3.6 23.3 1.0
C A:PRO70 3.7 21.3 0.5
C A:PRO70 3.7 20.6 0.5
CA A:PRO70 3.9 20.9 0.5
N A:SER72 4.2 22.7 0.5
N A:SER72 4.2 21.8 0.5
O A:THR69 4.3 18.4 1.0
C A:GLY71 4.3 21.1 1.0
CB A:PRO70 4.6 23.2 0.5
O A:SER72 4.6 25.8 0.5
N A:PRO70 4.8 19.6 0.5
O A:SER72 4.8 21.1 0.5
N A:PRO70 4.8 19.4 0.5
O A:PRO70 4.8 22.8 0.5
O A:PRO70 4.9 20.8 0.5
CL A:CL1131 4.9 17.9 0.8
C A:THR69 4.9 16.8 1.0
CB A:PRO70 4.9 22.1 0.5

Chlorine binding site 5 out of 8 in 2xbs

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Chlorine binding site 5 out of 8 in the Raman Crystallography of Hen White Egg Lysozyme - High X- Ray Dose (16 Mgy)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Raman Crystallography of Hen White Egg Lysozyme - High X- Ray Dose (16 Mgy) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1133

b:23.9
occ:0.50
 O A:LEU83 2.4 16.7 0.5
O A:HOH2110 2.6 18.7 1.0
O A:LEU83 2.7 16.3 0.5
N A:ILE55 2.8 10.9 0.5
N A:ILE55 2.8 10.9 0.5
O A:THR40 3.1 12.4 1.0
CA A:GLY54 3.2 11.4 1.0
CG2 A:ILE55 3.3 15.8 0.5
CA A:THR40 3.4 11.7 1.0
CB A:THR40 3.5 12.7 1.0
C A:GLY54 3.5 9.7 1.0
OG A:SER91 3.6 14.2 1.0
C A:LEU83 3.6 14.8 0.5
CB A:ILE55 3.6 14.5 0.5
C A:LEU83 3.6 14.1 0.5
CB A:ILE55 3.7 15.1 0.5
C A:THR40 3.7 9.8 1.0
CG2 A:ILE55 3.8 15.0 0.5
CA A:ILE55 3.8 12.6 0.5
CA A:ILE55 3.9 12.2 0.5
CG2 A:THR40 3.9 15.2 1.0
CA A:LEU84 4.1 14.5 1.0
O A:SER85 4.1 17.4 1.0
O A:HOH2075 4.2 13.0 1.0
N A:LEU84 4.2 15.4 1.0
O A:HOH2117 4.3 19.6 1.0
C A:LEU84 4.4 17.3 1.0
CB A:SER91 4.5 14.4 1.0
N A:GLY54 4.6 9.8 1.0
N A:SER85 4.6 17.9 1.0
CA A:LEU83 4.7 14.9 0.5
CA A:LEU83 4.7 15.6 0.5
OG1 A:THR40 4.7 16.3 1.0
N A:THR40 4.7 9.9 1.0
O A:GLY54 4.8 10.7 1.0
O A:LEU84 4.8 19.5 1.0

Chlorine binding site 6 out of 8 in 2xbs

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Chlorine binding site 6 out of 8 in the Raman Crystallography of Hen White Egg Lysozyme - High X- Ray Dose (16 Mgy)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Raman Crystallography of Hen White Egg Lysozyme - High X- Ray Dose (16 Mgy) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1134

b:20.2
occ:0.75
 OG1 A:THR51 2.7 12.3 1.0
OD2 A:ASP66 2.7 11.4 1.0
O A:GLY49 2.9 18.8 1.0
NE A:ARG68 3.0 18.4 1.0
OG1 A:THR69 3.1 14.2 1.0
N A:THR51 3.4 9.7 1.0
C A:SER50 3.4 11.2 1.0
CB A:THR51 3.5 10.4 1.0
CG A:ARG68 3.5 16.2 1.0
CA A:SER50 3.6 13.4 1.0
CG A:ASP66 3.6 11.7 1.0
CD A:ARG68 3.8 17.6 1.0
OG A:SER60 3.8 11.6 1.0
CZ A:ARG68 3.8 17.0 1.0
OD1 A:ASP66 3.8 12.8 1.0
NH2 A:ARG68 3.9 16.5 1.0
NH1 A:ARG45 3.9 23.5 1.0
C A:GLY49 3.9 16.8 1.0
O A:ARG68 4.0 21.4 1.0
O A:SER50 4.0 13.2 1.0
CA A:THR51 4.1 10.2 1.0
N A:SER50 4.3 14.3 1.0
CD A:ARG45 4.4 25.6 1.0
OH A:TYR53 4.4 10.8 1.0
C A:ARG68 4.4 16.0 1.0
CB A:THR69 4.4 14.8 1.0
CZ A:ARG45 4.5 26.9 1.0
NE A:ARG45 4.6 37.6 1.0
CB A:ARG68 4.7 16.7 1.0
N A:THR69 4.7 14.9 1.0
CB A:SER60 4.8 11.6 1.0
CG2 A:THR51 4.8 11.8 1.0
CA A:THR69 4.8 15.7 1.0
CG2 A:THR69 4.9 18.1 1.0
CB A:SER50 4.9 15.7 1.0
CB A:ASP66 5.0 11.9 1.0

Chlorine binding site 7 out of 8 in 2xbs

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Chlorine binding site 7 out of 8 in the Raman Crystallography of Hen White Egg Lysozyme - High X- Ray Dose (16 Mgy)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Raman Crystallography of Hen White Egg Lysozyme - High X- Ray Dose (16 Mgy) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1135

b:29.9
occ:0.83
 O A:HOH2004 2.8 74.6 1.0
CE2 A:PHE38 3.7 14.5 1.0
CD A:ARG5 3.9 27.6 0.6
CZ3 A:TRP123 3.9 21.8 1.0
NZ A:LYS33 3.9 29.2 1.0
CB A:ARG5 4.1 16.6 0.4
CB A:ARG5 4.3 19.5 0.6
CE A:LYS33 4.3 24.9 1.0
CZ A:PHE38 4.4 12.7 1.0
CD A:LYS33 4.4 17.7 1.0
CD A:ARG5 4.4 13.0 0.4
CD2 A:PHE38 4.6 13.1 1.0
CG A:ARG5 4.6 13.0 0.4
NE A:ARG5 4.7 30.6 0.6
CG A:ARG5 4.7 22.9 0.6
CE3 A:TRP123 4.7 18.1 1.0
CH2 A:TRP123 4.8 24.6 1.0
NE A:ARG5 4.8 11.1 0.4

Chlorine binding site 8 out of 8 in 2xbs

Go back to Chlorine Binding Sites List in 2xbs
Chlorine binding site 8 out of 8 in the Raman Crystallography of Hen White Egg Lysozyme - High X- Ray Dose (16 Mgy)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Raman Crystallography of Hen White Egg Lysozyme - High X- Ray Dose (16 Mgy) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1136

b:26.9
occ:0.75
 N A:ILE88 3.3 17.1 1.0
O A:HOH2005 3.4 41.0 1.0
O A:HOH2111 3.5 34.0 1.0
CG1 A:ILE88 3.6 16.7 1.0
CE1 A:HIS15 3.7 23.7 1.0
CA A:ASP87 3.8 20.8 1.0
C A:ASP87 4.0 18.0 1.0
CB A:ALA11 4.2 16.9 1.0
CG A:ASP87 4.2 29.4 1.0
O A:SER86 4.2 24.3 1.0
OD1 A:ASP87 4.2 29.8 1.0
CB A:ILE88 4.2 16.1 1.0
CA A:ILE88 4.3 15.2 1.0
CG2 A:ILE88 4.3 19.1 1.0
CZ A:PHE3 4.3 16.9 1.0
ND1 A:HIS15 4.5 24.2 1.0
CB A:ASP87 4.5 22.0 1.0
NE2 A:HIS15 4.5 29.8 1.0
OD2 A:ASP87 4.6 38.3 1.0
CD1 A:ILE88 4.7 18.6 1.0
N A:ASP87 4.8 19.9 1.0
C A:SER86 4.9 21.8 1.0
CE2 A:PHE3 5.0 17.0 1.0

Reference:

P.Carpentier, A.Royant, M.Weik, D.Bourgeois. Raman Assisted Crystallography Reveals A Mechanism of X-Ray Induced Reversible Disulfide Radical Formation Structure V. 18 1410 2010.
ISSN: ISSN 0969-2126
PubMed: 21070940
DOI: 10.1016/J.STR.2010.09.010
Page generated: Sat Jul 20 13:42:03 2024

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