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Iodine in PDB 4ksz: Crystal Structure of Bovine Lactoperoxidase Complexed with Cystiene at 1.98A Resolution

Enzymatic activity of Crystal Structure of Bovine Lactoperoxidase Complexed with Cystiene at 1.98A Resolution

All present enzymatic activity of Crystal Structure of Bovine Lactoperoxidase Complexed with Cystiene at 1.98A Resolution:
1.11.1.7;

Protein crystallography data

The structure of Crystal Structure of Bovine Lactoperoxidase Complexed with Cystiene at 1.98A Resolution, PDB code: 4ksz was solved by R.P.Singh, N.Singh, A.K.Singh, M.Sinha, P.Kaur, S.Sharma, T.P.Singh, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 74.83 / 1.98
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 54.006, 80.300, 76.510, 90.00, 102.02, 90.00
R / Rfree (%) 21.7 / 25.2

Other elements in 4ksz:

The structure of Crystal Structure of Bovine Lactoperoxidase Complexed with Cystiene at 1.98A Resolution also contains other interesting chemical elements:

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

Iodine Binding Sites:

Pages:

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

Binding sites:

The binding sites of Iodine atom in the Crystal Structure of Bovine Lactoperoxidase Complexed with Cystiene at 1.98A Resolution (pdb code 4ksz). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 11 binding sites of Iodine where determined in the Crystal Structure of Bovine Lactoperoxidase Complexed with Cystiene at 1.98A Resolution, PDB code: 4ksz:
Jump to Iodine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iodine binding site 1 out of 11 in 4ksz

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Iodine binding site 1 out of 11 in the Crystal Structure of Bovine Lactoperoxidase Complexed with Cystiene at 1.98A Resolution


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Crystal Structure of Bovine Lactoperoxidase Complexed with Cystiene at 1.98A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I603

b:34.9
occ:1.00
 ND2 A:ASN80 3.6 29.9 1.0
CG A:PRO145 3.7 33.5 1.0
CB A:ASN80 3.9 29.4 1.0
CB A:PRO145 4.2 36.6 1.0
CG A:GLU77 4.3 37.6 1.0
CG A:ASN80 4.3 29.2 1.0
CE A:LYS81 4.3 39.1 1.0
O A:LYS146 4.5 45.9 1.0
CG A:LYS81 4.6 35.4 1.0
CB A:ASN147 4.7 47.2 1.0
CD A:LYS81 4.7 37.1 1.0
NZ A:LYS81 4.8 39.5 1.0
O A:GLU77 4.8 29.6 1.0
CA A:GLU77 4.8 30.2 1.0

Iodine binding site 2 out of 11 in 4ksz

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Iodine binding site 2 out of 11 in the Crystal Structure of Bovine Lactoperoxidase Complexed with Cystiene at 1.98A Resolution


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of Crystal Structure of Bovine Lactoperoxidase Complexed with Cystiene at 1.98A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I604

b:42.0
occ:1.00
 N A:THR425 3.3 44.4 1.0
CA A:PRO236 3.7 35.9 1.0
CA A:THR425 3.9 45.5 1.0
CB A:PRO236 3.9 33.5 1.0
CB A:PHE239 4.0 40.9 1.0
N A:PRO236 4.0 39.1 1.0
O A:SER235 4.1 43.9 1.0
C A:SER235 4.2 43.8 1.0
CG A:PHE239 4.2 42.1 1.0
C A:PRO424 4.3 41.8 1.0
CA A:PRO424 4.4 39.6 1.0
CG2 A:THR425 4.5 48.6 1.0
CD1 A:PHE239 4.5 47.2 1.0
CB A:PRO234 4.6 58.4 1.0
CD A:PRO236 4.6 37.2 1.0
CZ A:PHE422 4.7 37.2 1.0
CG A:PRO234 4.8 59.0 1.0
CB A:THR425 4.8 46.3 1.0
CB A:PRO424 4.8 40.6 1.0
CD2 A:PHE239 4.9 44.6 1.0
CG A:PRO236 4.9 33.7 1.0

Iodine binding site 3 out of 11 in 4ksz

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Iodine binding site 3 out of 11 in the Crystal Structure of Bovine Lactoperoxidase Complexed with Cystiene at 1.98A Resolution


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 3 of Crystal Structure of Bovine Lactoperoxidase Complexed with Cystiene at 1.98A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I605

b:31.1
occ:1.00
 N A:PHE229 3.6 44.0 1.0
N A:GLN217 3.7 51.1 1.0
ND2 A:ASN216 4.0 48.3 1.0
CG A:ASN216 4.1 47.3 1.0
CA A:ASN216 4.1 46.8 1.0
CB A:PHE229 4.1 44.2 1.0
CD2 A:PHE229 4.2 47.8 1.0
CA A:PRO228 4.3 44.2 1.0
CB A:GLN217 4.3 56.2 1.0
OD1 A:ASN216 4.3 49.9 1.0
CG A:GLU218 4.3 58.4 1.0
C A:PRO228 4.4 43.0 1.0
CA A:PHE229 4.4 43.7 1.0
C A:ASN216 4.5 48.8 1.0
CG A:PHE229 4.5 44.9 1.0
CG A:GLN217 4.5 56.6 1.0
CA A:GLN217 4.6 54.7 1.0
O A:PHE229 4.6 45.2 1.0
CB A:PRO228 4.6 45.1 1.0
CB A:ASN216 4.7 45.8 1.0
O A:VAL215 4.8 46.4 1.0
N A:GLU218 4.9 55.7 1.0

Iodine binding site 4 out of 11 in 4ksz

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Iodine binding site 4 out of 11 in the Crystal Structure of Bovine Lactoperoxidase Complexed with Cystiene at 1.98A Resolution


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 4 of Crystal Structure of Bovine Lactoperoxidase Complexed with Cystiene at 1.98A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I606

b:19.3
occ:1.00
 O A:HOH813 3.4 22.4 1.0
N A:TRP46 3.5 23.1 1.0
N A:VAL342 3.6 21.7 1.0
CH2 A:TRP452 3.6 25.1 1.0
CZ2 A:TRP452 3.8 27.8 1.0
CA A:ARG45 3.9 24.8 1.0
CB A:ASN341 3.9 24.0 1.0
O A:ALA44 3.9 25.2 1.0
N A:ASN341 4.0 22.5 1.0
CB A:VAL342 4.0 22.1 1.0
CG1 A:VAL342 4.0 22.3 1.0
C A:ARG45 4.1 25.2 1.0
N A:LEU47 4.2 23.9 1.0
CE A:MET446 4.2 18.4 1.0
CA A:ASN341 4.3 21.7 1.0
O A:LEU47 4.3 28.0 1.0
CB A:TRP46 4.3 25.8 1.0
CA A:TRP46 4.3 24.6 1.0
CD A:ARG45 4.4 24.7 1.0
CA A:VAL342 4.4 21.8 1.0
C A:ASN341 4.4 22.1 1.0
CB A:SER340 4.5 16.6 1.0
NH1 A:ARG45 4.7 21.9 1.0
C A:TRP46 4.8 24.7 1.0
CB A:ARG45 4.8 25.3 1.0
C A:ALA44 4.8 26.3 1.0
SD A:MET446 4.8 29.7 1.0
N A:ARG45 4.8 25.2 1.0
OG A:SER340 4.8 22.8 1.0
CZ3 A:TRP452 4.9 31.1 1.0
CG A:TRP46 4.9 25.4 1.0
C A:SER340 4.9 21.0 1.0

Iodine binding site 5 out of 11 in 4ksz

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Iodine binding site 5 out of 11 in the Crystal Structure of Bovine Lactoperoxidase Complexed with Cystiene at 1.98A Resolution


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 5 of Crystal Structure of Bovine Lactoperoxidase Complexed with Cystiene at 1.98A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I607

b:27.6
occ:1.00
 NE1 A:TRP530 3.7 32.9 1.0
CB A:PHE309 3.9 34.1 1.0
O A:HOH810 4.1 27.1 1.0
CZ2 A:TRP530 4.2 34.4 1.0
N A:ARG310 4.3 35.6 1.0
CE2 A:TRP530 4.3 32.8 1.0
CG1 A:ILE306 4.3 34.1 1.0
CA A:ILE306 4.3 31.0 1.0
CB A:ARG310 4.4 37.8 1.0
CZ2 A:TRP529 4.5 38.2 1.0
C A:PHE309 4.6 35.1 1.0
CA A:ARG310 4.7 35.9 1.0
O A:ILE306 4.7 31.5 1.0
CB A:ILE306 4.8 31.9 1.0
CA A:PHE309 4.8 33.8 1.0
O A:GLN305 4.9 28.3 1.0
CD1 A:TRP530 4.9 33.8 1.0
OE1 A:GLU531 5.0 49.8 1.0
CG2 A:ILE306 5.0 32.6 1.0
CG A:PHE309 5.0 31.9 1.0

Iodine binding site 6 out of 11 in 4ksz

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Iodine binding site 6 out of 11 in the Crystal Structure of Bovine Lactoperoxidase Complexed with Cystiene at 1.98A Resolution


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 6 of Crystal Structure of Bovine Lactoperoxidase Complexed with Cystiene at 1.98A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I608

b:37.1
occ:1.00
 N A:THR560 3.6 47.5 1.0
NE A:ARG397 3.7 46.5 1.0
CG2 A:ILE559 3.8 40.8 1.0
CA A:ILE559 3.8 45.2 1.0
O A:GLU363 3.8 51.0 1.0
CE1 A:TYR365 4.1 48.4 1.0
CA A:GLU363 4.1 51.4 1.0
CG A:GLU363 4.2 57.5 1.0
N A:LYS561 4.2 47.6 1.0
C A:ILE559 4.2 46.3 1.0
NH2 A:ARG397 4.3 46.6 1.0
CB A:ILE559 4.3 43.5 1.0
OG1 A:THR560 4.4 51.0 1.0
CB A:GLU363 4.4 52.7 1.0
CZ A:ARG397 4.4 46.1 1.0
C A:GLU363 4.4 50.4 1.0
CD A:ARG397 4.5 41.1 1.0
CB A:LYS561 4.6 48.7 1.0
CA A:THR560 4.7 49.0 1.0
CG A:LYS561 4.7 52.7 1.0
CG1 A:ILE559 4.7 43.6 1.0
O A:HIS558 4.7 50.7 1.0
CD1 A:TYR365 4.8 49.0 1.0
C A:THR560 4.9 49.4 1.0
CA A:LYS561 4.9 48.1 1.0
OH A:TYR365 5.0 45.9 1.0
CZ A:TYR365 5.0 44.7 1.0

Iodine binding site 7 out of 11 in 4ksz

Go back to Iodine Binding Sites List in 4ksz
Iodine binding site 7 out of 11 in the Crystal Structure of Bovine Lactoperoxidase Complexed with Cystiene at 1.98A Resolution


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 7 of Crystal Structure of Bovine Lactoperoxidase Complexed with Cystiene at 1.98A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I609

b:47.3
occ:1.00
 NE2 A:HIS377 3.6 34.1 1.0
CD2 A:HIS377 3.6 30.7 1.0
ND1 A:HIS429 3.9 38.2 1.0
CE1 A:HIS429 4.0 38.1 1.0
CG A:HIS429 4.0 38.2 1.0
CG2 A:THR378 4.2 31.0 1.0
NE2 A:HIS429 4.3 36.6 1.0
CD2 A:HIS429 4.3 35.3 1.0
CB A:HIS429 4.6 37.5 1.0
CA A:THR378 4.7 29.4 1.0
CE1 A:HIS377 4.8 34.1 1.0
CG A:HIS377 4.8 28.2 1.0
CB A:THR378 4.9 30.1 1.0

Iodine binding site 8 out of 11 in 4ksz

Go back to Iodine Binding Sites List in 4ksz
Iodine binding site 8 out of 11 in the Crystal Structure of Bovine Lactoperoxidase Complexed with Cystiene at 1.98A Resolution


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 8 of Crystal Structure of Bovine Lactoperoxidase Complexed with Cystiene at 1.98A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I610

b:70.9
occ:1.00
 O6 A:NAG618 3.2 46.9 1.0
NH2 A:ARG96 3.6 29.7 1.0
NH1 A:ARG96 3.6 32.8 1.0
O5 A:NAG618 3.6 41.0 1.0
O A:HOH907 3.9 37.1 1.0
ND2 A:ASN95 4.0 49.5 1.0
CZ A:ARG96 4.0 32.7 1.0
CA A:ARG504 4.1 39.5 1.0
O A:HOH980 4.3 43.0 1.0
NH1 A:ARG506 4.3 27.9 1.0
C1 A:NAG618 4.3 40.8 1.0
O A:ARG504 4.4 37.1 1.0
C A:ARG504 4.4 37.2 1.0
C6 A:NAG618 4.4 45.2 1.0
C5 A:NAG618 4.4 45.5 1.0
NH2 A:ARG506 4.5 29.2 1.0
C2 A:NAG618 4.5 46.3 1.0
CB A:ARG504 4.6 40.7 1.0
C4 A:NAG618 4.6 45.2 1.0
CZ A:ARG506 4.8 29.4 1.0
O7 A:NAG618 4.9 55.5 1.0

Iodine binding site 9 out of 11 in 4ksz

Go back to Iodine Binding Sites List in 4ksz
Iodine binding site 9 out of 11 in the Crystal Structure of Bovine Lactoperoxidase Complexed with Cystiene at 1.98A Resolution


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 9 of Crystal Structure of Bovine Lactoperoxidase Complexed with Cystiene at 1.98A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I611

b:45.4
occ:1.00
 N A:LYS462 3.5 37.9 1.0
O A:HOH855 3.5 45.2 1.0
OG1 A:THR463 3.8 40.3 1.0
CA A:GLY466 4.0 37.3 1.0
N A:THR463 4.1 39.5 1.0
CA A:PRO461 4.2 35.6 1.0
C A:PRO461 4.3 36.5 1.0
CA A:LYS462 4.4 39.6 1.0
CB A:LYS462 4.5 40.0 1.0
N A:GLY466 4.5 37.8 1.0
C A:LYS462 4.7 39.4 1.0
CB A:THR463 4.7 40.5 1.0
CG2 A:THR463 4.8 41.8 1.0
CB A:PRO461 4.9 35.0 1.0
CA A:THR463 5.0 38.7 1.0

Iodine binding site 10 out of 11 in 4ksz

Go back to Iodine Binding Sites List in 4ksz
Iodine binding site 10 out of 11 in the Crystal Structure of Bovine Lactoperoxidase Complexed with Cystiene at 1.98A Resolution


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 10 of Crystal Structure of Bovine Lactoperoxidase Complexed with Cystiene at 1.98A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I612

b:62.1
occ:1.00
 N A:ALA225 3.3 50.4 1.0
CG A:ARG271 3.6 42.7 1.0
CB A:ALA225 3.7 48.5 1.0
NH2 A:ARG278 3.8 62.5 1.0
CD2 A:LEU224 3.9 58.9 1.0
CB A:LEU224 4.1 53.1 1.0
CA A:LEU224 4.1 54.0 1.0
CA A:ALA225 4.1 48.5 1.0
C A:LEU224 4.2 51.9 1.0
CD A:ARG271 4.3 42.5 1.0
CB A:ARG271 4.5 42.9 1.0
CG A:LEU224 4.6 56.9 1.0
NE A:ARG271 4.7 43.2 1.0
CA A:ARG271 4.7 43.5 1.0
CZ A:ARG278 4.9 63.9 1.0

Reference:

R.P.Singh, N.Singh, A.K.Singh, M.Sinha, P.Kaur, S.Sharma, T.P.Singh. Crystal Structure of Bovine Lactoperoxidase Complexed with Cystiene at 1.98A Resolution To Be Published.
Page generated: Sun Aug 11 18:29:50 2024

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