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Chlorine in PDB 2qrb: Crystal Structure of Chloride Saturated Bovine Lactoperoxidase at 2.5 A Resolution Shows Multiple Halide Binding Sites

Enzymatic activity of Crystal Structure of Chloride Saturated Bovine Lactoperoxidase at 2.5 A Resolution Shows Multiple Halide Binding Sites

All present enzymatic activity of Crystal Structure of Chloride Saturated Bovine Lactoperoxidase at 2.5 A Resolution Shows Multiple Halide Binding Sites:
1.11.1.7;

Protein crystallography data

The structure of Crystal Structure of Chloride Saturated Bovine Lactoperoxidase at 2.5 A Resolution Shows Multiple Halide Binding Sites, PDB code: 2qrb was solved by A.K.Singh, N.Singh, S.Sharma, P.Kaur, T.P.Singh, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.47 / 2.50
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 54.435, 80.561, 77.706, 90.00, 102.77, 90.00
R / Rfree (%) 18.9 / 21.9

Other elements in 2qrb:

The structure of Crystal Structure of Chloride Saturated Bovine Lactoperoxidase at 2.5 A Resolution Shows Multiple Halide Binding Sites also contains other interesting chemical elements:

Iron (Fe) 1 atom
Calcium (Ca) 1 atom

Chlorine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 11;

Binding sites:

The binding sites of Chlorine atom in the Crystal Structure of Chloride Saturated Bovine Lactoperoxidase at 2.5 A Resolution Shows Multiple Halide Binding Sites (pdb code 2qrb). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 11 binding sites of Chlorine where determined in the Crystal Structure of Chloride Saturated Bovine Lactoperoxidase at 2.5 A Resolution Shows Multiple Halide Binding Sites, PDB code: 2qrb:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 11 in 2qrb

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Chlorine binding site 1 out of 11 in the Crystal Structure of Chloride Saturated Bovine Lactoperoxidase at 2.5 A Resolution Shows Multiple Halide Binding Sites


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Chloride Saturated Bovine Lactoperoxidase at 2.5 A Resolution Shows Multiple Halide Binding Sites within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl608

b:2.0
occ:1.00
 O A:HOH851 3.0 9.5 1.0
CG A:GLU258 3.4 13.2 1.0
C4A A:HEM619 3.6 10.3 1.0
CG A:ARG255 3.7 13.3 1.0
CD A:ARG255 3.7 12.7 1.0
C3A A:HEM619 3.7 11.1 1.0
O A:HOH852 3.7 7.5 1.0
CB A:ARG255 3.8 16.2 1.0
NA A:HEM619 3.9 11.2 1.0
C2A A:HEM619 4.0 11.3 1.0
CB A:GLU258 4.0 12.7 1.0
CHB A:HEM619 4.1 12.1 1.0
C1A A:HEM619 4.1 11.1 1.0
CD A:GLU258 4.2 14.5 1.0
CMA A:HEM619 4.2 9.6 1.0
CE1 A:HIS109 4.3 11.9 1.0
NE2 A:HIS109 4.3 11.6 1.0
OE1 A:GLU258 4.7 13.3 1.0
C1B A:HEM619 4.8 12.5 1.0
O A:HOH774 4.8 26.2 1.0
OE2 A:GLU258 4.8 15.1 1.0
CHA A:HEM619 4.8 11.2 1.0
CAA A:HEM619 4.9 11.2 1.0
CA A:ARG255 4.9 17.8 1.0
O A:HOH862 4.9 59.6 1.0

Chlorine binding site 2 out of 11 in 2qrb

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Chlorine binding site 2 out of 11 in the Crystal Structure of Chloride Saturated Bovine Lactoperoxidase at 2.5 A Resolution Shows Multiple Halide Binding Sites


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Chloride Saturated Bovine Lactoperoxidase at 2.5 A Resolution Shows Multiple Halide Binding Sites within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl609

b:2.0
occ:1.00
 N A:TRP46 3.3 12.0 1.0
O A:HOH654 3.4 15.2 1.0
N A:VAL342 3.5 10.6 1.0
CA A:ARG45 3.7 12.3 1.0
CB A:ASN341 3.7 12.3 1.0
O A:ALA44 3.8 11.6 1.0
N A:ASN341 3.8 11.8 1.0
CH2 A:TRP452 3.8 2.7 1.0
CG1 A:VAL342 4.0 10.9 1.0
C A:ARG45 4.0 12.9 1.0
CB A:VAL342 4.0 10.7 1.0
CZ2 A:TRP452 4.0 4.3 1.0
N A:LEU47 4.1 13.0 1.0
CA A:ASN341 4.2 11.8 1.0
CD A:ARG45 4.2 14.2 1.0
CE A:MET446 4.3 10.2 1.0
CA A:TRP46 4.3 11.6 1.0
C A:ASN341 4.3 11.3 1.0
CB A:TRP46 4.3 9.5 1.0
O A:LEU47 4.3 14.2 1.0
CA A:VAL342 4.4 11.7 1.0
CB A:SER340 4.4 9.1 1.0
CB A:ARG45 4.6 12.4 1.0
C A:ALA44 4.6 11.9 1.0
SD A:MET446 4.6 16.2 1.0
N A:ARG45 4.7 12.6 1.0
C A:TRP46 4.8 13.1 1.0
C A:SER340 4.8 11.3 1.0
NH1 A:ARG45 4.8 14.2 1.0
CG A:TRP46 4.9 9.4 1.0
CG A:ARG45 4.9 14.2 1.0
OG A:SER340 5.0 7.5 1.0

Chlorine binding site 3 out of 11 in 2qrb

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Chlorine binding site 3 out of 11 in the Crystal Structure of Chloride Saturated Bovine Lactoperoxidase at 2.5 A Resolution Shows Multiple Halide Binding Sites


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Chloride Saturated Bovine Lactoperoxidase at 2.5 A Resolution Shows Multiple Halide Binding Sites within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl610

b:16.0
occ:1.00
 ND2 A:ASN80 3.5 13.5 1.0
CB A:ASN80 3.7 14.7 1.0
CG A:PRO145 3.8 19.8 1.0
CE A:LYS81 4.1 19.1 1.0
CG A:ASN80 4.1 15.3 1.0
O A:HOH817 4.2 50.0 1.0
O A:LYS146 4.4 29.0 1.0
CB A:PRO145 4.4 21.4 1.0
CG A:LYS81 4.4 15.8 1.0
CG A:GLU77 4.7 24.4 1.0
NZ A:LYS81 4.7 21.0 1.0
CA A:GLU77 4.7 19.3 1.0
CD A:LYS81 4.7 17.4 1.0
O A:GLU77 4.9 18.4 1.0
CB A:GLU77 4.9 21.1 1.0

Chlorine binding site 4 out of 11 in 2qrb

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Chlorine binding site 4 out of 11 in the Crystal Structure of Chloride Saturated Bovine Lactoperoxidase at 2.5 A Resolution Shows Multiple Halide Binding Sites


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of Chloride Saturated Bovine Lactoperoxidase at 2.5 A Resolution Shows Multiple Halide Binding Sites within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl606

b:23.6
occ:1.00
 O6 A:NAG596 3.2 59.8 1.0
NH1 A:ARG96 3.8 16.8 1.0
NH1 A:ARG506 4.0 24.6 1.0
O5 A:NAG596 4.0 53.3 1.0
ND2 A:ASN95 4.0 42.6 1.0
NH2 A:ARG506 4.0 26.3 1.0
NH2 A:ARG96 4.1 17.8 1.0
CD A:ARG504 4.3 41.2 1.0
CA A:ARG504 4.3 25.1 1.0
CZ A:ARG96 4.4 17.4 1.0
O A:ARG504 4.4 22.8 1.0
CZ A:ARG506 4.5 25.3 1.0
C1 A:NAG596 4.5 49.5 1.0
C6 A:NAG596 4.6 57.7 1.0
C2 A:NAG596 4.7 52.2 1.0
C A:ARG504 4.7 23.2 1.0
O7 A:NAG596 4.7 50.2 1.0
CB A:ARG504 4.7 28.3 1.0
C5 A:NAG596 4.8 57.8 1.0

Chlorine binding site 5 out of 11 in 2qrb

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Chlorine binding site 5 out of 11 in the Crystal Structure of Chloride Saturated Bovine Lactoperoxidase at 2.5 A Resolution Shows Multiple Halide Binding Sites


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of Chloride Saturated Bovine Lactoperoxidase at 2.5 A Resolution Shows Multiple Halide Binding Sites within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl611

b:2.0
occ:1.00
 O A:HOH794 3.5 52.2 1.0
N A:PHE229 3.6 25.3 1.0
N A:GLN217 4.0 31.1 1.0
CB A:PRO228 4.0 22.4 1.0
CA A:PRO228 4.0 22.9 1.0
CA A:ASN216 4.1 26.0 1.0
ND2 A:ASN216 4.2 24.1 1.0
CG A:ASN216 4.2 26.5 1.0
CG A:GLU218 4.2 42.5 1.0
O A:HOH831 4.3 44.4 1.0
C A:PRO228 4.3 24.2 1.0
CD2 A:PHE229 4.4 26.5 1.0
OD1 A:ASN216 4.4 27.9 1.0
CB A:PHE229 4.4 27.2 1.0
CA A:PHE229 4.6 28.3 1.0
C A:ASN216 4.6 28.2 1.0
CB A:ASN216 4.7 25.8 1.0
CG A:PHE229 4.7 27.1 1.0
O A:PHE229 4.7 29.8 1.0
N A:GLU218 4.9 34.9 1.0
O A:VAL215 4.9 19.5 1.0
OE2 A:GLU218 4.9 46.3 1.0
CB A:GLN217 4.9 36.5 1.0
CA A:GLN217 5.0 34.6 1.0

Chlorine binding site 6 out of 11 in 2qrb

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Chlorine binding site 6 out of 11 in the Crystal Structure of Chloride Saturated Bovine Lactoperoxidase at 2.5 A Resolution Shows Multiple Halide Binding Sites


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Crystal Structure of Chloride Saturated Bovine Lactoperoxidase at 2.5 A Resolution Shows Multiple Halide Binding Sites within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl612

b:43.9
occ:1.00
 O A:HOH730 3.2 38.3 1.0
N A:ALA225 3.3 29.0 1.0
CB A:ALA225 3.7 26.6 1.0
CG A:ARG271 3.9 17.7 1.0
CA A:LEU224 4.1 31.7 1.0
CA A:ALA225 4.1 26.4 1.0
C A:LEU224 4.2 30.9 1.0
CD A:ARG271 4.4 18.2 1.0
CB A:ARG271 4.4 19.8 1.0
CB A:LEU224 4.5 32.0 1.0
CD2 A:LEU224 4.6 33.1 1.0
CA A:ARG271 4.7 20.8 1.0
NH1 A:ARG278 4.7 50.8 1.0
NE A:ARG271 4.8 18.6 1.0
O A:GLY223 5.0 36.8 1.0

Chlorine binding site 7 out of 11 in 2qrb

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Chlorine binding site 7 out of 11 in the Crystal Structure of Chloride Saturated Bovine Lactoperoxidase at 2.5 A Resolution Shows Multiple Halide Binding Sites


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Crystal Structure of Chloride Saturated Bovine Lactoperoxidase at 2.5 A Resolution Shows Multiple Halide Binding Sites within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl613

b:9.9
occ:1.00
 NE1 A:TRP530 3.6 25.1 1.0
CZ2 A:TRP530 3.8 24.0 1.0
CB A:PHE309 3.9 11.6 1.0
OE1 A:GLU531 4.1 33.5 1.0
CE2 A:TRP530 4.1 24.8 1.0
O A:HOH758 4.2 21.4 1.0
CZ2 A:TRP529 4.3 21.0 1.0
O A:HOH795 4.4 33.5 1.0
N A:ARG310 4.6 14.4 1.0
CD A:GLU531 4.6 35.3 1.0
CB A:ARG310 4.6 15.7 1.0
C A:PHE309 4.7 14.3 1.0
CA A:ILE306 4.7 14.9 1.0
CA A:PHE309 4.9 14.0 1.0
O A:ILE306 4.9 12.4 1.0
CD1 A:TRP530 4.9 25.0 1.0
CG A:PHE309 4.9 11.0 1.0
O A:GLN305 4.9 13.2 1.0
CA A:ARG310 5.0 15.1 1.0
OE2 A:GLU531 5.0 35.4 1.0

Chlorine binding site 8 out of 11 in 2qrb

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Chlorine binding site 8 out of 11 in the Crystal Structure of Chloride Saturated Bovine Lactoperoxidase at 2.5 A Resolution Shows Multiple Halide Binding Sites


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Crystal Structure of Chloride Saturated Bovine Lactoperoxidase at 2.5 A Resolution Shows Multiple Halide Binding Sites within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl614

b:50.8
occ:1.00
 NE2 A:HIS377 3.1 14.4 1.0
CD2 A:HIS377 3.3 13.5 1.0
CD2 A:HIS429 4.4 22.5 1.0
CE1 A:HIS377 4.4 14.4 1.0
CG A:HIS429 4.4 23.7 1.0
NE2 A:HIS429 4.5 23.0 1.0
ND1 A:HIS429 4.6 24.0 1.0
CE1 A:HIS429 4.6 23.2 1.0
CG2 A:THR378 4.6 17.7 1.0
CG A:HIS377 4.7 14.4 1.0
CB A:HIS429 4.9 23.9 1.0

Chlorine binding site 9 out of 11 in 2qrb

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Chlorine binding site 9 out of 11 in the Crystal Structure of Chloride Saturated Bovine Lactoperoxidase at 2.5 A Resolution Shows Multiple Halide Binding Sites


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Crystal Structure of Chloride Saturated Bovine Lactoperoxidase at 2.5 A Resolution Shows Multiple Halide Binding Sites within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl615

b:2.0
occ:1.00
 O A:GLU363 2.9 43.6 1.0
NE A:ARG397 3.6 24.0 1.0
N A:THR560 3.7 28.4 1.0
C A:GLU363 3.9 41.4 1.0
CG2 A:ILE559 3.9 25.0 1.0
CA A:ILE559 4.0 26.9 1.0
OG1 A:THR560 4.1 32.7 1.0
CE2 A:TYR365 4.1 32.1 1.0
NH2 A:ARG397 4.2 25.2 1.0
N A:LYS561 4.2 31.9 1.0
CA A:GLU363 4.3 40.9 1.0
CZ A:ARG397 4.4 24.4 1.0
C A:ILE559 4.4 27.0 1.0
CD A:ARG397 4.4 23.0 1.0
CB A:ILE559 4.5 25.7 1.0
CB A:LYS561 4.6 36.2 1.0
CA A:THR560 4.7 30.1 1.0
CG A:LYS561 4.7 40.6 1.0
CD2 A:TYR365 4.8 33.5 1.0
CB A:GLU363 4.9 42.2 1.0
CG1 A:ILE559 4.9 25.4 1.0
OE1 A:GLU363 4.9 45.7 1.0
CZ A:TYR365 4.9 31.3 1.0
OH A:TYR365 5.0 30.2 1.0
O A:HIS558 5.0 30.9 1.0
C A:THR560 5.0 30.6 1.0
O A:LYS561 5.0 29.1 1.0

Chlorine binding site 10 out of 11 in 2qrb

Go back to Chlorine Binding Sites List in 2qrb
Chlorine binding site 10 out of 11 in the Crystal Structure of Chloride Saturated Bovine Lactoperoxidase at 2.5 A Resolution Shows Multiple Halide Binding Sites


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Crystal Structure of Chloride Saturated Bovine Lactoperoxidase at 2.5 A Resolution Shows Multiple Halide Binding Sites within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl616

b:2.0
occ:1.00
 OG1 A:THR463 3.5 22.8 1.0
N A:LYS462 3.7 22.4 1.0
O A:HOH822 4.0 33.6 1.0
N A:THR463 4.1 23.1 1.0
CA A:PRO461 4.1 20.1 1.0
CA A:GLY466 4.2 20.9 1.0
C A:PRO461 4.4 20.9 1.0
CB A:THR463 4.6 22.0 1.0
CA A:LYS462 4.6 24.4 1.0
CB A:LYS462 4.7 26.7 1.0
CG2 A:THR463 4.7 20.3 1.0
N A:GLY466 4.7 23.6 1.0
CB A:PRO461 4.8 19.5 1.0
C A:LYS462 4.8 23.8 1.0
CA A:THR463 4.9 22.4 1.0
O A:GLN460 5.0 20.5 1.0

Reference:

A.K.Singh, N.Singh, S.Sharma, P.Kaur, T.P.Singh. Crystal Structure of Chloride Saturated Bovine Lactoperoxidase at 2.5 A Resolution Shows Multiple Halide Binding Sites To Be Published.
Page generated: Sat Dec 12 09:17:32 2020

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