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Chlorine in PDB 4okf: Rnase S in Complex with An Artificial Peptide

Enzymatic activity of Rnase S in Complex with An Artificial Peptide

All present enzymatic activity of Rnase S in Complex with An Artificial Peptide:
3.1.27.5;

Protein crystallography data

The structure of Rnase S in Complex with An Artificial Peptide, PDB code: 4okf was solved by M.Genz, N.Strater, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 24.59 / 1.54
Space group P 31 2 1
Cell size a, b, c (Å), α, β, γ (°) 43.800, 43.800, 96.700, 90.00, 90.00, 120.00
R / Rfree (%) 17.1 / 21

Chlorine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 12;

Binding sites:

The binding sites of Chlorine atom in the Rnase S in Complex with An Artificial Peptide (pdb code 4okf). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 12 binding sites of Chlorine where determined in the Rnase S in Complex with An Artificial Peptide, PDB code: 4okf:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 12 in 4okf

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Chlorine binding site 1 out of 12 in the Rnase S in Complex with An Artificial Peptide


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Rnase S in Complex with An Artificial Peptide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl102

b:47.4
occ:1.00
 N A:ALA4 3.3 18.0 1.0
O A:HOH201 3.6 19.9 1.0
CA A:THR3 3.8 17.4 1.0
CB A:THR3 3.8 18.3 1.0
C A:THR3 4.1 15.9 1.0
CB A:ALA4 4.1 16.6 1.0
CA A:ALA4 4.3 15.6 1.0
CG2 A:THR3 4.4 19.4 1.0
O B:HOH417 4.9 47.2 1.0

Chlorine binding site 2 out of 12 in 4okf

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Chlorine binding site 2 out of 12 in the Rnase S in Complex with An Artificial Peptide


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Rnase S in Complex with An Artificial Peptide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl103

b:26.9
occ:1.00
 O A:HOH218 3.0 40.5 1.0
NH1 B:ARG39 3.2 22.6 1.0
O A:HOH217 3.2 34.7 1.0
NE2 A:GLN11 3.2 18.4 1.0
NH2 A:ARG10 3.3 17.3 1.0
NH1 A:ARG10 3.4 16.5 1.0
O B:HOH361 3.5 24.0 1.0
O B:ASN34 3.6 18.4 1.0
CD2 B:LEU35 3.7 22.4 1.0
CZ A:ARG10 3.8 16.0 1.0
O2 A:SO4101 4.0 19.6 0.6
CD A:GLN11 4.3 15.6 1.0
CZ B:ARG39 4.3 21.1 1.0
CE A:LYS7 4.4 18.7 1.0
CG A:GLN11 4.7 13.8 1.0
C B:ASN34 4.7 16.7 1.0
NE B:ARG39 4.7 20.9 1.0
CA B:LEU35 5.0 16.9 1.0

Chlorine binding site 3 out of 12 in 4okf

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Chlorine binding site 3 out of 12 in the Rnase S in Complex with An Artificial Peptide


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Rnase S in Complex with An Artificial Peptide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl104

b:25.9
occ:0.90
 O A:HOH216 2.9 29.4 1.0
OG A:SER15 3.2 14.8 0.5
N B:LEU51 3.2 13.2 1.0
OG A:SER15 3.2 21.3 0.5
CB A:SER15 3.6 16.8 0.5
CB A:SER15 3.6 19.4 0.5
CA B:SER50 3.8 13.5 1.0
CB B:LEU51 3.9 15.5 1.0
C B:SER50 4.0 12.9 1.0
CB B:SER50 4.0 15.5 1.0
CA B:LEU51 4.1 12.9 1.0
N B:ALA52 5.0 13.6 1.0

Chlorine binding site 4 out of 12 in 4okf

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Chlorine binding site 4 out of 12 in the Rnase S in Complex with An Artificial Peptide


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Rnase S in Complex with An Artificial Peptide within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl202

b:61.7
occ:1.00
 O B:HOH397 3.0 23.7 1.0
O B:HOH371 3.2 43.6 1.0
OD1 B:ASP83 3.5 20.4 0.5
NH2 B:ARG85 3.8 17.5 1.0
O B:HOH366 4.1 34.1 1.0
O B:HOH402 4.3 47.9 1.0
O B:HOH342 4.3 28.0 1.0
CG B:ASP83 4.4 16.3 0.5
CG1 B:VAL43 4.4 15.2 0.5
OD2 B:ASP83 4.6 14.4 0.5
CG B:ASP83 4.7 13.0 0.5
OD1 B:ASP83 4.8 13.0 0.5
OD2 B:ASP83 4.8 19.9 0.5
CZ B:ARG85 4.9 18.6 1.0

Chlorine binding site 5 out of 12 in 4okf

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Chlorine binding site 5 out of 12 in the Rnase S in Complex with An Artificial Peptide


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Rnase S in Complex with An Artificial Peptide within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl203

b:29.4
occ:1.00
 O B:HOH363 3.0 34.5 1.0
CG B:LYS66 4.0 43.8 1.0
O B:LYS66 4.7 31.8 1.0
CE B:LYS66 4.9 65.0 1.0
CD B:LYS66 4.9 53.6 1.0
CA B:LYS66 5.0 26.0 1.0

Chlorine binding site 6 out of 12 in 4okf

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Chlorine binding site 6 out of 12 in the Rnase S in Complex with An Artificial Peptide


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Rnase S in Complex with An Artificial Peptide within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl204

b:21.4
occ:1.00
 O B:HOH395 2.9 35.6 1.0
N B:THR45 3.2 11.6 1.0
O B:HOH354 3.3 32.9 1.0
OG1 B:THR45 3.5 14.6 1.0
CE1 A:HIS12 3.5 14.7 1.0
CA B:ASN44 3.7 11.5 1.0
CB B:THR45 3.7 12.0 1.0
C B:ASN44 3.8 13.0 1.0
CD2 B:PHE120 3.9 16.1 0.6
CA B:THR45 4.1 10.5 1.0
ND1 A:HIS12 4.1 13.7 1.0
OD1 B:ASN44 4.2 17.3 1.0
O B:VAL43 4.4 14.7 1.0
CB B:PHE120 4.4 20.5 0.4
O B:HOH356 4.4 24.8 0.5
O B:HOH371 4.4 43.6 1.0
N B:ASN44 4.4 11.7 1.0
NZ B:LYS41 4.4 26.4 1.0
NE2 A:HIS12 4.4 14.5 1.0
CG B:PHE120 4.5 14.7 0.6
CB B:PHE120 4.5 18.2 0.6
CD2 B:PHE120 4.6 16.5 0.4
C B:VAL43 4.7 12.6 1.0
CE2 B:PHE120 4.7 16.0 0.6
CG B:ASN44 4.7 12.5 1.0
O B:PHE120 4.7 26.4 1.0
CB B:ASN44 4.8 12.8 1.0
O B:THR45 4.8 12.9 1.0
CG1 B:VAL43 4.8 15.2 0.5
CG B:PHE120 4.9 18.4 0.4
CG2 B:VAL43 4.9 14.1 0.5
O B:HOH362 4.9 19.9 0.5
O1 B:SO4201 4.9 30.5 0.5
O B:ASN44 4.9 16.6 1.0
C B:THR45 5.0 10.7 1.0

Chlorine binding site 7 out of 12 in 4okf

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Chlorine binding site 7 out of 12 in the Rnase S in Complex with An Artificial Peptide


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Rnase S in Complex with An Artificial Peptide within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl205

b:23.5
occ:0.80
 O B:HOH403 3.1 21.4 0.5
O B:HOH339 3.1 23.7 1.0
N B:THR70 3.3 28.5 1.0
CB B:GLN69 3.4 25.4 1.0
CA B:GLN69 3.6 25.3 1.0
CG B:GLN69 3.8 25.4 1.0
C B:GLN69 3.9 26.3 1.0
OG1 B:THR70 3.9 42.1 1.0
N B:ASN71 4.4 20.6 1.0
CA B:THR70 4.4 31.1 1.0
O B:HOH416 4.4 36.3 1.0
CD B:GLN69 4.5 29.8 1.0
OD1 B:ASN71 4.5 18.5 1.0
OE1 B:GLN69 4.6 32.2 1.0
C B:THR70 4.6 24.7 1.0
CB B:THR70 4.8 37.5 1.0
N B:GLN69 4.9 30.0 1.0
CG B:ASN71 5.0 17.6 1.0

Chlorine binding site 8 out of 12 in 4okf

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Chlorine binding site 8 out of 12 in the Rnase S in Complex with An Artificial Peptide


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Rnase S in Complex with An Artificial Peptide within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl206

b:25.6
occ:1.00
 O B:HOH390 3.1 37.2 1.0
O B:HOH308 3.2 22.3 1.0
ND2 B:ASN71 3.3 18.3 1.0
CD2 B:HIS119 3.5 19.9 1.0
OE1 B:GLN69 3.8 32.2 1.0
OE2 B:GLU111 3.9 48.4 1.0
CB B:ALA109 4.0 14.3 1.0
NE2 B:HIS119 4.0 24.5 1.0
CG2 B:VAL118 4.2 14.1 1.0
CG B:ASN71 4.3 17.6 1.0
OD1 B:ASN71 4.4 18.5 1.0
CG B:HIS119 4.8 17.4 1.0
CD B:GLN69 4.9 29.8 1.0
O B:HOH401 4.9 31.2 0.5
O B:HOH324 5.0 26.4 1.0

Chlorine binding site 9 out of 12 in 4okf

Go back to Chlorine Binding Sites List in 4okf
Chlorine binding site 9 out of 12 in the Rnase S in Complex with An Artificial Peptide


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Rnase S in Complex with An Artificial Peptide within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl207

b:30.6
occ:1.00
 O B:HOH306 3.1 17.9 1.0
N B:CYS40 3.2 16.7 1.0
CA B:ARG39 3.6 16.9 1.0
CB B:ARG39 3.7 17.4 1.0
C B:ARG39 3.9 16.5 1.0
CB B:TYR92 3.9 15.5 1.0
O B:CYS40 4.3 22.8 1.0
CA B:CYS40 4.3 16.4 1.0
O B:HOH303 4.5 23.7 1.0
CB B:CYS40 4.5 16.0 1.0
CG B:TYR92 4.5 15.6 1.0
C B:CYS40 4.7 17.9 1.0
O B:HOH359 4.7 25.6 1.0
CD1 B:TYR92 4.9 16.3 1.0
SG B:CYS40 4.9 16.9 1.0
CG B:ARG39 5.0 20.6 1.0

Chlorine binding site 10 out of 12 in 4okf

Go back to Chlorine Binding Sites List in 4okf
Chlorine binding site 10 out of 12 in the Rnase S in Complex with An Artificial Peptide


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Rnase S in Complex with An Artificial Peptide within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl208

b:53.1
occ:1.00
 O B:HOH404 2.9 45.1 1.0
O B:HOH409 2.9 42.1 1.0
N B:ASN103 3.2 17.9 1.0
CA B:ALA102 3.7 18.5 1.0
O B:ASN103 3.8 20.8 1.0
CB B:ALA102 3.9 21.4 1.0
C B:ALA102 3.9 16.7 1.0
CA B:ASN103 4.1 16.4 1.0
O B:HOH375 4.2 26.7 1.0
CB B:ASN103 4.2 20.8 1.0
C B:ASN103 4.3 17.4 1.0
O B:GLN101 4.9 22.7 1.0
ND2 B:ASN103 4.9 36.2 1.0
CG B:ASN103 4.9 27.2 1.0
N B:ALA102 5.0 16.7 1.0

Reference:

J.Gao, M.Genz, F.Hofman, S.Hiller, N.Strater, F.Seebeck. X-Ray Strucutre of A Rnase S Variant in Complex with An Artificial Peptide To Be Published.
Page generated: Sat Dec 12 11:01:11 2020

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