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Chlorine in PDB 1i57: Crystal Structure of Apo Human PTP1B (C215S) Mutant

Enzymatic activity of Crystal Structure of Apo Human PTP1B (C215S) Mutant

All present enzymatic activity of Crystal Structure of Apo Human PTP1B (C215S) Mutant:
3.1.3.48;

Protein crystallography data

The structure of Crystal Structure of Apo Human PTP1B (C215S) Mutant, PDB code: 1i57 was solved by G.Scapin, S.Patel, V.Patel, B.Kennedy, E.Asante-Appiah, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 2.10
Space group P 31 2 1
Cell size a, b, c (Å), α, β, γ (°) 87.381, 87.381, 95.942, 90.00, 90.00, 120.00
R / Rfree (%) 19.5 / 26.6

Other elements in 1i57:

The structure of Crystal Structure of Apo Human PTP1B (C215S) Mutant also contains other interesting chemical elements:

Magnesium (Mg) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Apo Human PTP1B (C215S) Mutant (pdb code 1i57). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the Crystal Structure of Apo Human PTP1B (C215S) Mutant, PDB code: 1i57:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in 1i57

Go back to Chlorine Binding Sites List in 1i57
Chlorine binding site 1 out of 5 in the Crystal Structure of Apo Human PTP1B (C215S) Mutant


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 Apo Human PTP1B (C215S) Mutant within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl402

b:35.0
occ:1.00
 NH2 A:ARG45 3.2 26.3 1.0
NH1 A:ARG45 3.3 41.0 1.0
O A:HOH1201 3.3 42.5 1.0
N A:ALA122 3.5 31.1 1.0
CZ A:ARG45 3.7 40.2 1.0
CA A:CYS121 3.7 36.6 1.0
C A:CYS121 3.7 52.8 1.0
O A:PRO87 3.8 22.4 1.0
CD A:PRO89 4.0 29.2 1.0
CD2 A:LEU88 4.1 23.8 1.0
CA A:LEU88 4.2 25.4 1.0
CA A:ALA122 4.3 27.2 1.0
N A:CYS121 4.4 30.5 1.0
CG A:PRO89 4.4 53.0 1.0
O A:CYS121 4.5 30.8 1.0
CB A:ALA122 4.5 25.0 1.0
N A:PRO89 4.6 49.0 1.0
C A:LEU88 4.8 41.7 1.0
C A:PRO87 4.8 16.8 1.0
O A:HOH1224 4.9 64.4 1.0
CB A:CYS121 5.0 45.5 1.0
O A:HOH1135 5.0 38.1 1.0
C A:LYS120 5.0 39.7 1.0

Chlorine binding site 2 out of 5 in 1i57

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Chlorine binding site 2 out of 5 in the Crystal Structure of Apo Human PTP1B (C215S) Mutant


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 Apo Human PTP1B (C215S) Mutant within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl403

b:25.1
occ:1.00
 NE A:ARG45 3.1 32.9 1.0
O A:HOH1058 3.1 21.7 1.0
N A:GLY86 3.2 29.9 1.0
CD A:ARG45 3.3 21.6 1.0
C A:SER216 3.5 39.2 1.0
N A:SER216 3.6 19.5 1.0
CB A:GLN85 3.6 17.8 1.0
OG A:SER215 3.6 32.6 1.0
O A:SER216 3.7 30.3 1.0
CB A:SER215 3.8 23.6 1.0
CA A:SER216 3.8 29.3 1.0
C A:SER215 3.9 24.2 1.0
CA A:GLN85 3.9 22.9 1.0
N A:ALA217 3.9 27.3 1.0
CA A:GLY86 4.0 14.4 1.0
C A:GLN85 4.0 28.9 1.0
O A:HOH1087 4.1 33.5 1.0
O A:HOH1047 4.2 26.5 1.0
O A:SER215 4.3 26.8 1.0
CZ A:ARG45 4.3 40.2 1.0
CB A:ARG45 4.4 20.0 1.0
CG A:ARG45 4.4 17.5 1.0
CE2 A:TYR46 4.4 30.5 1.0
O A:HOH1069 4.4 21.5 1.0
CA A:SER215 4.5 34.5 1.0
CA A:ALA217 4.5 23.2 1.0
O A:GLY86 4.5 21.7 1.0
CD2 A:TYR46 4.7 36.2 1.0
NH2 A:ARG45 4.8 26.3 1.0
CG A:GLN85 4.8 12.7 1.0
C A:GLY86 4.8 13.8 1.0

Chlorine binding site 3 out of 5 in 1i57

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Chlorine binding site 3 out of 5 in the Crystal Structure of Apo Human PTP1B (C215S) Mutant


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 Apo Human PTP1B (C215S) Mutant within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl404

b:30.6
occ:1.00
 O A:HOH1040 3.1 30.0 1.0
N A:GLY223 3.2 31.4 1.0
N A:ILE261 3.3 30.3 1.0
NE2 A:GLN262 3.5 28.3 1.0
CA A:GLY223 3.6 20.6 1.0
CA A:LEU260 3.6 26.9 1.0
CG A:GLN262 3.7 21.8 1.0
OG A:SER222 3.7 30.4 1.0
CD2 A:LEU260 3.8 28.2 1.0
O A:HOH1044 3.9 37.7 1.0
C A:LEU260 4.0 32.0 1.0
O A:GLY259 4.0 25.4 1.0
CD A:GLN262 4.0 24.9 1.0
O A:HOH1036 4.1 36.5 1.0
CA A:ILE261 4.3 20.9 1.0
N A:SER222 4.3 17.7 1.0
C A:SER222 4.4 25.6 1.0
O A:GLY220 4.4 27.9 1.0
CB A:LEU260 4.4 22.7 1.0
N A:LEU260 4.5 31.6 1.0
N A:GLN262 4.5 36.3 1.0
C A:GLY259 4.6 29.8 1.0
C A:GLY220 4.6 24.5 1.0
C A:ILE261 4.6 38.7 1.0
C A:ARG221 4.7 33.3 1.0
CA A:SER222 4.8 35.4 1.0
CA A:ARG221 4.8 23.6 1.0
CG A:LEU260 4.8 26.8 1.0
N A:ARG221 4.8 19.9 1.0
C A:GLY223 4.8 28.5 1.0
CB A:SER222 4.9 22.3 1.0
CB A:GLN262 4.9 17.6 1.0

Chlorine binding site 4 out of 5 in 1i57

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Chlorine binding site 4 out of 5 in the Crystal Structure of Apo Human PTP1B (C215S) Mutant


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 Apo Human PTP1B (C215S) Mutant within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl405

b:41.3
occ:1.00
 O A:HOH1128 2.9 35.9 1.0
OG1 A:THR263 3.1 39.5 1.0
O A:HOH1085 3.1 36.0 1.0
CA A:GLY183 3.8 29.7 1.0
CG2 A:THR263 3.9 23.3 1.0
CB A:THR263 4.0 52.3 1.0
N A:GLY183 4.0 28.2 1.0
C A:GLY183 4.0 43.0 1.0
CB A:ASP265 4.1 33.8 1.0
OD2 A:ASP265 4.1 57.8 1.0
CG2 A:ILE219 4.3 27.9 1.0
CG1 A:VAL184 4.3 35.2 1.0
CD1 A:ILE219 4.3 35.2 1.0
O A:GLY183 4.3 38.3 1.0
CG A:GLN266 4.3 33.3 1.0
N A:VAL184 4.5 28.6 1.0
O A:HOH1060 4.5 31.4 1.0
CG A:ASP265 4.6 58.2 1.0
O A:HOH1194 4.6 48.1 1.0
NE2 A:GLN266 4.7 23.1 1.0
N A:GLN266 4.9 48.4 1.0
O A:HOH1161 4.9 50.3 1.0
CD A:GLN266 5.0 29.4 1.0

Chlorine binding site 5 out of 5 in 1i57

Go back to Chlorine Binding Sites List in 1i57
Chlorine binding site 5 out of 5 in the Crystal Structure of Apo Human PTP1B (C215S) Mutant


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 Apo Human PTP1B (C215S) Mutant within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl406

b:37.2
occ:1.00
 NH2 A:ARG254 3.1 26.1 1.0
NH1 A:ARG24 3.1 87.3 1.0
CG A:ARG24 3.2 65.9 1.0
NH1 A:ARG254 3.3 28.9 1.0
O A:HOH1070 3.3 31.5 1.0
O A:HOH1122 3.4 31.5 1.0
O A:HOH1149 3.5 61.0 1.0
CZ A:ARG254 3.6 26.6 1.0
CD A:ARG24 3.7 49.0 1.0
OH A:TYR20 3.7 30.5 1.0
O A:HOH1181 3.8 54.4 1.0
CA A:GLY259 3.8 36.4 1.0
CZ A:ARG24 4.1 74.6 1.0
O A:HOH1153 4.3 55.7 1.0
NE A:ARG24 4.3 67.3 1.0
CB A:ARG24 4.4 23.4 1.0
N A:GLY259 4.5 26.1 1.0
CZ A:TYR20 4.5 19.8 1.0
O A:GLY259 4.6 25.4 1.0
O A:HOH1134 4.6 46.4 1.0
C A:GLY259 4.6 29.8 1.0
O A:HOH1021 4.7 21.3 1.0
O A:HOH1059 4.8 38.0 1.0
NE A:ARG254 4.9 18.2 1.0
CA A:ARG24 4.9 23.0 1.0
O A:ILE261 4.9 19.3 1.0
O A:HOH1096 4.9 31.9 1.0

Reference:

G.Scapin, S.Patel, V.Patel, B.Kennedy, E.Asante-Appiah. The Structure of Apo Protein-Tyrosine Phosphatase 1B C215S Mutant: More Than Just An S --> O Change. Protein Sci. V. 10 1596 2001.
ISSN: ISSN 0961-8368
PubMed: 11468356
DOI: 10.1110/PS.11001
Page generated: Sat Dec 12 08:37:40 2020

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