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Chlorine in PDB 4owh: PTBR6 Binding to Hewl

Enzymatic activity of PTBR6 Binding to Hewl

All present enzymatic activity of PTBR6 Binding to Hewl:
3.2.1.17;

Protein crystallography data

The structure of PTBR6 Binding to Hewl, PDB code: 4owh was solved by S.W.M.Tanley, V.L.Starkey, L.Lamplough, S.Kaenket, J.R.Helliwell, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 55.62 / 1.48
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 78.663, 78.663, 36.845, 90.00, 90.00, 90.00
R / Rfree (%) 19 / 22.3

Other elements in 4owh:

The structure of PTBR6 Binding to Hewl also contains other interesting chemical elements:

Bromine (Br) 12 atoms
Platinum (Pt) 2 atoms
Sodium (Na) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the PTBR6 Binding to Hewl (pdb code 4owh). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 9 binding sites of Chlorine where determined in the PTBR6 Binding to Hewl, PDB code: 4owh:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9;

Chlorine binding site 1 out of 9 in 4owh

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Chlorine binding site 1 out of 9 in the PTBR6 Binding to Hewl


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of PTBR6 Binding to Hewl within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl205

b:12.5
occ:0.64
O A:HOH347 3.0 32.9 1.0
OH A:TYR23 3.0 15.4 1.0
O A:HOH332 3.1 19.3 1.0
CZ A:TYR23 3.7 15.6 1.0
CE2 A:TYR23 3.7 15.8 1.0
CA A:GLY104 4.0 15.6 1.0
O A:ARG21 4.6 16.4 1.0
N A:GLY104 4.7 17.9 1.0
CE1 A:TYR23 4.9 15.8 1.0
CD2 A:TYR23 4.9 14.2 1.0

Chlorine binding site 2 out of 9 in 4owh

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Chlorine binding site 2 out of 9 in the PTBR6 Binding to Hewl


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of PTBR6 Binding to Hewl within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl206

b:21.9
occ:1.00
OG A:SER24 3.0 18.2 1.0
N A:GLY26 3.2 17.0 1.0
O A:HOH417 3.4 50.6 1.0
CB A:SER24 3.5 16.9 1.0
CA A:GLY26 3.5 16.1 1.0
CA A:GLN121 3.6 20.8 1.0
CD1 A:ILE124 3.9 26.5 1.0
CB A:GLN121 3.9 23.4 1.0
N A:GLN121 4.0 20.2 1.0
CG A:GLN121 4.1 30.5 1.0
CG2 A:VAL120 4.3 21.3 1.0
C A:VAL120 4.3 19.9 1.0
N A:LEU25 4.3 17.5 1.0
O A:VAL120 4.3 19.1 1.0
C A:LEU25 4.4 16.9 1.0
C A:SER24 4.4 16.5 1.0
CG1 A:ILE124 4.4 22.7 1.0
C A:GLY26 4.6 13.9 1.0
CA A:SER24 4.6 15.7 1.0
N A:ASN27 4.7 14.1 1.0
CA A:LEU25 4.8 16.1 1.0
C A:GLN121 4.8 18.1 1.0
O A:SER24 4.9 17.0 1.0

Chlorine binding site 3 out of 9 in 4owh

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Chlorine binding site 3 out of 9 in the PTBR6 Binding to Hewl


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of PTBR6 Binding to Hewl within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl207

b:25.4
occ:0.63
O A:HOH379 2.8 25.6 1.0
N A:ILE88 3.0 16.1 1.0
CE1 A:HIS15 3.1 22.9 1.0
OD1 A:ASP87 3.6 21.0 1.0
CG1 A:ILE88 3.7 17.3 1.0
CA A:ASP87 3.7 17.4 1.0
NE2 A:HIS15 3.7 24.6 1.0
C A:ASP87 3.8 17.6 1.0
BR4 A:6BP201 4.0 26.1 0.5
O A:HOH343 4.0 34.8 1.0
O A:HOH419 4.0 24.7 1.0
CG A:ASP87 4.1 26.8 1.0
CA A:ILE88 4.1 15.5 1.0
ND1 A:HIS15 4.1 24.3 1.0
CB A:ILE88 4.2 16.8 1.0
O A:SER86 4.3 20.1 1.0
NH2 A:ARG14 4.3 29.8 1.0
CG2 A:ILE88 4.3 17.6 1.0
CB A:ASP87 4.4 20.7 1.0
N A:THR89 4.4 16.9 1.0
C A:ILE88 4.6 16.7 1.0
N A:ASP87 4.8 17.1 1.0
CD1 A:ILE88 4.8 18.2 1.0
CB A:ALA11 4.8 14.0 1.0
CD2 A:HIS15 4.9 27.8 1.0
OD2 A:ASP87 4.9 29.4 1.0
OG1 A:THR89 4.9 18.9 1.0
C A:SER86 5.0 18.9 1.0

Chlorine binding site 4 out of 9 in 4owh

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Chlorine binding site 4 out of 9 in the PTBR6 Binding to Hewl


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of PTBR6 Binding to Hewl within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl208

b:19.4
occ:0.55
CE2 A:PHE38 3.6 18.1 1.0
NZ A:LYS33 3.8 30.0 1.0
CZ3 A:TRP123 3.9 18.7 1.0
CE A:LYS33 4.0 27.1 1.0
CD A:LYS33 4.1 21.8 1.0
CD A:ARG5 4.2 21.9 1.0
CB A:ARG5 4.3 18.4 1.0
CZ A:PHE38 4.3 16.3 1.0
CG A:ARG5 4.6 20.0 1.0
CE3 A:TRP123 4.6 19.8 1.0
CD2 A:PHE38 4.7 18.4 1.0
NE A:ARG5 4.7 23.9 1.0
CH2 A:TRP123 4.8 18.8 1.0

Chlorine binding site 5 out of 9 in 4owh

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Chlorine binding site 5 out of 9 in the PTBR6 Binding to Hewl


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of PTBR6 Binding to Hewl within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl209

b:25.9
occ:0.57
NH1 A:ARG68 2.9 22.6 1.0
CD A:ARG68 3.7 24.2 1.0
CZ A:ARG68 4.0 20.9 1.0
NE A:ARG68 4.3 23.4 1.0
NH1 A:ARG45 4.9 32.9 1.0
CG A:ARG68 4.9 20.3 1.0

Chlorine binding site 6 out of 9 in 4owh

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Chlorine binding site 6 out of 9 in the PTBR6 Binding to Hewl


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of PTBR6 Binding to Hewl within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl210

b:25.0
occ:0.72
CA A:GLY126 4.0 29.4 1.0
N A:GLY126 4.5 30.3 1.0

Chlorine binding site 7 out of 9 in 4owh

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Chlorine binding site 7 out of 9 in the PTBR6 Binding to Hewl


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of PTBR6 Binding to Hewl within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl211

b:14.8
occ:0.26
O A:HOH408 2.6 36.0 1.0
O A:HOH419 4.3 24.7 1.0
CB A:SER86 4.9 22.5 1.0

Chlorine binding site 8 out of 9 in 4owh

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Chlorine binding site 8 out of 9 in the PTBR6 Binding to Hewl


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of PTBR6 Binding to Hewl within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl212

b:27.2
occ:0.43
C A:ACT214 2.6 31.0 0.7
O A:ACT214 2.8 28.9 0.7
CH3 A:ACT214 3.0 31.3 0.7
OXT A:ACT214 3.1 30.0 0.7
CD1 A:TRP62 3.9 35.0 1.0
NE1 A:TRP62 4.6 52.2 1.0
CG A:TRP62 4.7 36.2 1.0
O A:HOH388 4.7 33.6 1.0
NE1 A:TRP63 4.8 19.1 1.0

Chlorine binding site 9 out of 9 in 4owh

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Chlorine binding site 9 out of 9 in the PTBR6 Binding to Hewl


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of PTBR6 Binding to Hewl within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl213

b:21.4
occ:0.60
SG A:CYS6 2.4 24.3 1.0
O A:GLY126 3.2 36.0 1.0
CB A:CYS6 3.3 22.1 1.0
CA A:CYS127 3.5 23.8 1.0
C A:GLY126 3.7 30.2 1.0
SG A:CYS127 3.9 24.4 1.0
N A:CYS127 3.9 26.7 1.0
CB A:CYS127 4.0 22.5 1.0
O A:HOH398 4.3 25.1 1.0
C A:CYS127 4.6 25.9 1.0
NH2 A:ARG5 4.6 24.3 1.0
CA A:GLY126 4.6 29.4 1.0
N A:ARG128 4.7 27.5 1.0
CA A:CYS6 4.8 21.3 1.0

Reference:

S.W.Tanley, L.V.Starkey, L.Lamplough, S.Kaenket, J.R.Helliwell. The Binding of Platinum Hexahalides (Cl, Br and I) to Hen Egg-White Lysozyme and the Chemical Transformation of the PTI6 Octahedral Complex to A PTI3 Moiety Bound to HIS15. Acta Crystallogr.,Sect.F V. 70 1132 2014.
ISSN: ESSN 2053-230X
PubMed: 25195880
DOI: 10.1107/S2053230X14014009
Page generated: Sat Dec 12 11:02:00 2020

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