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Chlorine in PDB 2xbr: Raman Crystallography of Hen White Egg Lysozyme - Low X-Ray Dose (0.2 Mgy)

Enzymatic activity of Raman Crystallography of Hen White Egg Lysozyme - Low X-Ray Dose (0.2 Mgy)

All present enzymatic activity of Raman Crystallography of Hen White Egg Lysozyme - Low X-Ray Dose (0.2 Mgy):
3.2.1.17;

Protein crystallography data

The structure of Raman Crystallography of Hen White Egg Lysozyme - Low X-Ray Dose (0.2 Mgy), PDB code: 2xbr 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) 33.52 / 1.29
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 78.630, 78.630, 37.060, 90.00, 90.00, 90.00
R / Rfree (%) 14.108 / 18.637

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Raman Crystallography of Hen White Egg Lysozyme - Low X-Ray Dose (0.2 Mgy) (pdb code 2xbr). 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 - Low X-Ray Dose (0.2 Mgy), PDB code: 2xbr:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Chlorine binding site 1 out of 8 in 2xbr

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Chlorine binding site 1 out of 8 in the Raman Crystallography of Hen White Egg Lysozyme - Low X-Ray Dose (0.2 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 - Low X-Ray Dose (0.2 Mgy) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1130

b:19.7
occ:1.00
 O A:HOH2083 2.8 44.2 1.0
OG A:SER24 3.0 16.3 1.0
N A:GLY26 3.2 11.4 1.0
CA A:GLY26 3.5 10.8 1.0
CB A:SER24 3.5 13.8 1.0
CA A:GLN121 3.6 16.0 1.0
CD1 A:ILE124 3.8 24.5 1.0
CB A:GLN121 3.9 19.1 1.0
N A:GLN121 4.0 14.9 1.0
CG A:GLN121 4.1 22.6 1.0
CG1 A:ILE124 4.2 20.0 1.0
O A:VAL120 4.2 13.3 1.0
C A:VAL120 4.3 13.6 1.0
N A:LEU25 4.3 13.3 1.0
CG2 A:VAL120 4.3 16.0 1.0
C A:LEU25 4.4 12.3 1.0
O A:HOH2016 4.4 36.0 1.0
C A:SER24 4.4 13.4 1.0
C A:GLY26 4.5 10.5 1.0
N A:ASN27 4.6 10.7 1.0
CA A:SER24 4.6 13.8 1.0
CA A:LEU25 4.8 12.5 1.0
O A:HOH2082 4.8 47.0 1.0
C A:GLN121 4.9 15.2 1.0
O A:SER24 4.9 14.2 1.0

Chlorine binding site 2 out of 8 in 2xbr

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Chlorine binding site 2 out of 8 in the Raman Crystallography of Hen White Egg Lysozyme - Low X-Ray Dose (0.2 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 - Low X-Ray Dose (0.2 Mgy) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1131

b:15.3
occ:1.00
 ND2 A:ASN113 3.3 13.7 1.0
CB A:ASN113 3.6 12.4 1.0
CA A:ALA110 3.7 15.1 1.0
CG A:ASN113 4.0 12.7 1.0
O A:VAL109 4.0 14.7 0.5
CD A:ARG114 4.1 10.8 1.0
CB A:ALA110 4.2 15.9 1.0
N A:ALA110 4.2 15.7 1.0
C A:VAL109 4.3 15.9 0.5
CG1 A:VAL109 4.4 17.1 0.5
CG A:ARG114 4.4 11.8 1.0
O A:VAL109 4.4 14.3 0.5
C A:VAL109 4.5 15.9 0.5
C A:ALA110 4.8 13.1 1.0
CG2 A:VAL109 4.9 22.7 0.5
CA A:ASN113 4.9 11.7 1.0
O A:ALA110 4.9 13.0 1.0

Chlorine binding site 3 out of 8 in 2xbr

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Chlorine binding site 3 out of 8 in the Raman Crystallography of Hen White Egg Lysozyme - Low X-Ray Dose (0.2 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 - Low X-Ray Dose (0.2 Mgy) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1132

b:13.3
occ:0.75
 O A:HOH2165 3.1 29.4 1.0
N A:THR69 3.1 12.3 1.0
O A:HOH2158 3.2 13.4 1.0
O A:HOH2170 3.3 38.7 1.0
O A:THR69 3.3 13.9 1.0
N A:ARG68 3.5 11.1 1.0
C A:GLY67 3.5 11.5 1.0
O A:HOH2156 3.5 38.3 1.0
C A:THR69 3.6 13.2 1.0
CA A:GLY67 3.6 12.2 1.0
N A:GLY67 3.7 11.1 1.0
OD1 A:ASN65 3.7 14.8 1.0
OG A:SER72 3.7 16.2 1.0
CA A:THR69 3.8 12.5 1.0
O A:HOH2157 4.0 16.3 1.0
C A:ARG68 4.1 12.9 1.0
CB A:THR69 4.1 12.2 1.0
O A:GLY67 4.1 15.3 1.0
CA A:ARG68 4.2 13.0 1.0
OD1 A:ASP66 4.2 9.9 1.0
N A:PRO70 4.4 16.5 1.0
O A:HOH2148 4.7 10.2 1.0
C A:ASP66 4.7 10.4 1.0
OG1 A:THR69 4.8 11.2 1.0
CL A:CL1133 4.8 18.1 0.3
O A:HOH2160 4.9 99.3 1.0
CA A:PRO70 4.9 18.6 1.0
N A:ASP66 4.9 9.9 1.0
CG A:ASN65 4.9 13.2 1.0
CB A:SER72 5.0 17.4 1.0

Chlorine binding site 4 out of 8 in 2xbr

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Chlorine binding site 4 out of 8 in the Raman Crystallography of Hen White Egg Lysozyme - Low X-Ray Dose (0.2 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 - Low X-Ray Dose (0.2 Mgy) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1133

b:18.1
occ:0.30
 N A:GLY71 2.7 19.8 1.0
O A:HOH2170 2.8 38.7 1.0
O A:HOH2165 3.5 29.4 1.0
CA A:PRO70 3.6 18.6 1.0
C A:PRO70 3.6 20.3 1.0
CA A:GLY71 3.7 22.0 1.0
O A:THR69 4.3 13.9 1.0
N A:SER72 4.3 20.1 1.0
C A:GLY71 4.3 19.9 1.0
CB A:PRO70 4.5 21.9 1.0
O A:HOH2171 4.6 38.8 1.0
N A:PRO70 4.6 16.5 1.0
C A:THR69 4.8 13.2 1.0
O A:PRO70 4.8 25.4 1.0
CL A:CL1132 4.8 13.3 0.8
O A:SER72 4.9 22.5 1.0
O A:HOH2166 5.0 19.4 0.5

Chlorine binding site 5 out of 8 in 2xbr

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Chlorine binding site 5 out of 8 in the Raman Crystallography of Hen White Egg Lysozyme - Low X-Ray Dose (0.2 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 - Low X-Ray Dose (0.2 Mgy) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1134

b:20.6
occ:0.50
 O A:HOH2143 1.2 15.3 0.5
O A:LEU83 2.4 15.8 0.5
O A:LEU83 2.4 15.6 0.5
O A:HOH2191 2.7 13.6 1.0
N A:ILE55 2.9 10.1 0.5
N A:ILE55 2.9 10.2 0.5
O A:THR40 3.0 11.4 1.0
CA A:GLY54 3.2 9.6 1.0
CA A:THR40 3.4 9.6 1.0
C A:LEU83 3.4 13.7 0.5
CB A:THR40 3.4 10.7 1.0
C A:LEU83 3.5 13.6 0.5
CB A:ILE55 3.6 13.0 0.5
C A:GLY54 3.6 8.7 1.0
OG A:SER91 3.6 11.5 1.0
C A:THR40 3.6 9.2 1.0
CG2 A:ILE55 3.7 16.1 0.5
CG2 A:ILE55 3.8 16.2 0.5
CA A:ILE55 3.9 11.3 0.5
CA A:LEU84 3.9 13.5 1.0
CG1 A:ILE55 3.9 16.3 0.5
CG2 A:THR40 3.9 11.6 1.0
CA A:ILE55 4.0 11.9 0.5
CB A:ILE55 4.1 15.1 0.5
N A:LEU84 4.1 13.1 1.0
O A:SER85 4.1 14.3 1.0
C A:LEU84 4.2 13.6 1.0
O A:HOH2141 4.3 11.2 1.0
O A:HOH2203 4.4 15.5 1.0
N A:SER85 4.5 14.2 1.0
N A:GLY54 4.6 9.5 1.0
CA A:LEU83 4.6 14.1 0.5
CA A:LEU83 4.6 14.0 0.5
O A:LEU84 4.6 16.1 1.0
CB A:SER91 4.6 12.8 1.0
OG1 A:THR40 4.6 12.8 1.0
N A:THR40 4.7 9.0 1.0
O A:GLY54 4.8 9.6 1.0
N A:GLN41 4.9 9.1 1.0
CG1 A:ILE55 5.0 13.7 0.5

Chlorine binding site 6 out of 8 in 2xbr

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Chlorine binding site 6 out of 8 in the Raman Crystallography of Hen White Egg Lysozyme - Low X-Ray Dose (0.2 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 - Low X-Ray Dose (0.2 Mgy) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1135

b:16.3
occ:0.75
 O A:HOH2162 2.5 19.1 0.5
OD2 A:ASP66 2.6 9.4 1.0
OG1 A:THR51 2.8 9.4 1.0
NE A:ARG68 3.0 13.5 1.0
O A:GLY49 3.0 14.9 1.0
OG1 A:THR69 3.0 11.2 1.0
CG A:ARG68 3.4 13.4 1.0
N A:THR51 3.4 8.7 1.0
CB A:THR51 3.5 8.9 1.0
CG A:ASP66 3.5 9.0 1.0
C A:SER50 3.5 9.4 1.0
CD A:ARG68 3.7 14.1 1.0
CA A:SER50 3.7 10.9 1.0
OD1 A:ASP66 3.7 9.9 1.0
OG A:SER60 3.8 10.0 1.0
NE A:ARG45 3.8 13.9 0.5
CZ A:ARG68 3.9 11.1 1.0
NH2 A:ARG68 3.9 13.4 1.0
NH2 A:ARG45 4.0 11.2 0.5
C A:GLY49 4.0 14.6 1.0
O A:ARG68 4.1 17.9 1.0
CA A:THR51 4.1 8.3 1.0
O A:SER50 4.1 10.5 1.0
CZ A:ARG45 4.2 15.0 0.5
NH1 A:ARG45 4.2 28.0 0.5
OH A:TYR53 4.3 8.6 1.0
CD A:ARG45 4.4 20.0 0.5
N A:SER50 4.4 11.4 1.0
C A:ARG68 4.4 12.9 1.0
CB A:THR69 4.4 12.2 1.0
CD A:ARG45 4.5 16.5 0.5
CB A:ARG68 4.6 13.0 1.0
CB A:SER60 4.7 10.4 1.0
N A:THR69 4.7 12.3 1.0
CZ A:ARG45 4.7 26.1 0.5
CA A:THR69 4.8 12.5 1.0
NE A:ARG45 4.8 26.4 0.5
CG2 A:THR51 4.8 9.8 1.0
CB A:ASP66 4.8 8.9 1.0
CG2 A:THR69 4.9 14.3 1.0
CB A:SER50 5.0 12.4 1.0
CA A:ARG68 5.0 13.0 1.0

Chlorine binding site 7 out of 8 in 2xbr

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Chlorine binding site 7 out of 8 in the Raman Crystallography of Hen White Egg Lysozyme - Low X-Ray Dose (0.2 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 - Low X-Ray Dose (0.2 Mgy) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1136

b:19.2
occ:0.83
 O A:HOH2012 3.2 75.2 1.0
CE2 A:PHE38 3.7 12.1 1.0
NZ A:LYS33 3.9 22.8 1.0
CZ3 A:TRP123 3.9 14.8 1.0
CD A:ARG5 4.2 17.5 1.0
CB A:ARG5 4.3 17.1 1.0
CZ A:PHE38 4.4 11.3 1.0
CD A:LYS33 4.5 14.6 1.0
CE A:LYS33 4.5 20.3 1.0
CD2 A:PHE38 4.6 11.9 1.0
CG A:ARG5 4.6 17.3 1.0
O A:HOH2093 4.6 43.9 1.0
CE3 A:TRP123 4.7 13.4 1.0
NE A:ARG5 4.7 17.3 1.0
O A:HOH2011 4.8 22.9 0.5
CH2 A:TRP123 4.9 15.4 1.0
O A:HOH2006 4.9 25.8 0.5

Chlorine binding site 8 out of 8 in 2xbr

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Chlorine binding site 8 out of 8 in the Raman Crystallography of Hen White Egg Lysozyme - Low X-Ray Dose (0.2 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 - Low X-Ray Dose (0.2 Mgy) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1137

b:19.4
occ:0.75
 N A:ILE88 3.3 12.6 1.0
O A:HOH2193 3.3 27.0 1.0
O A:HOH2033 3.5 27.9 1.0
CG1 A:ILE88 3.7 13.5 1.0
CE1 A:HIS15 3.7 18.9 1.0
CA A:ASP87 3.7 15.3 1.0
C A:ASP87 4.0 12.2 1.0
O A:SER86 4.1 17.6 1.0
CG A:ASP87 4.1 21.4 1.0
OD1 A:ASP87 4.2 20.0 1.0
CB A:ALA11 4.2 13.9 1.0
CB A:ILE88 4.3 12.2 1.0
CA A:ILE88 4.3 11.3 1.0
CG2 A:ILE88 4.3 13.7 1.0
CZ A:PHE3 4.3 13.9 1.0
NE2 A:HIS15 4.4 20.0 1.0
OD2 A:ASP87 4.4 26.2 1.0
CB A:ASP87 4.5 18.0 1.0
ND1 A:HIS15 4.5 18.6 1.0
CD1 A:ILE88 4.7 14.3 1.0
O A:HOH2197 4.7 26.6 1.0
N A:ASP87 4.7 14.4 1.0
C A:SER86 4.8 15.8 1.0
CE2 A:PHE3 4.9 13.1 1.0
NH2 A:ARG14 5.0 24.3 0.5

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 13:41:38 2024

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