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Chlorine in PDB 1z9h: Microsomal Prostaglandin E Synthase Type-2

Enzymatic activity of Microsomal Prostaglandin E Synthase Type-2

All present enzymatic activity of Microsomal Prostaglandin E Synthase Type-2:
5.3.99.3;

Protein crystallography data

The structure of Microsomal Prostaglandin E Synthase Type-2, PDB code: 1z9h was solved by T.Yamada, J.Komoto, K.Watanabe, Y.Ohmiya, F.Takusagawa, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 2.60
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 128.240, 122.830, 111.530, 90.00, 110.60, 90.00
R / Rfree (%) 21.4 / 25.1

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Microsomal Prostaglandin E Synthase Type-2 (pdb code 1z9h). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 8 binding sites of Chlorine where determined in the Microsomal Prostaglandin E Synthase Type-2, PDB code: 1z9h:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Chlorine binding site 1 out of 8 in 1z9h

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Chlorine binding site 1 out of 8 in the Microsomal Prostaglandin E Synthase Type-2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Microsomal Prostaglandin E Synthase Type-2 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl379

b:17.6
occ:1.00
 CL A:IMN379 0.0 17.6 1.0
C13 A:IMN379 1.7 12.5 1.0
C14 A:IMN379 2.7 22.1 1.0
C12 A:IMN379 2.7 16.5 1.0
CD2 A:TYR263 3.3 13.2 1.0
CD2 A:LEU347 3.3 15.2 1.0
CE2 A:TYR263 3.5 7.0 1.0
CB A:SER260 3.5 8.4 1.0
OG A:SER260 3.6 7.8 1.0
CA A:SER260 3.7 9.0 1.0
O A:SER260 3.8 20.1 1.0
C15 A:IMN379 4.0 15.2 1.0
C11 A:IMN379 4.1 15.4 1.0
CG A:LEU347 4.1 13.3 1.0
C A:SER260 4.1 11.4 1.0
CB A:VAL250 4.4 2.0 1.0
CG1 A:ILE264 4.4 10.9 1.0
CD1 A:ILE264 4.4 6.6 1.0
CG2 A:VAL250 4.5 4.8 1.0
CG1 A:VAL250 4.6 2.0 1.0
CD1 A:LEU347 4.6 10.7 1.0
CG A:TYR263 4.6 9.6 1.0
C10 A:IMN379 4.6 12.2 1.0
O A:VAL343 4.7 13.9 1.0
CZ A:TYR263 4.8 6.7 1.0

Chlorine binding site 2 out of 8 in 1z9h

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Chlorine binding site 2 out of 8 in the Microsomal Prostaglandin E Synthase Type-2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Microsomal Prostaglandin E Synthase Type-2 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl378

b:15.9
occ:1.00
 NH2 B:ARG137 3.4 20.8 1.0
NE B:ARG137 3.8 18.7 1.0
NH1 B:ARG146 3.8 3.0 1.0
CD B:ARG146 3.8 5.9 1.0
CZ B:ARG137 4.0 16.5 1.0
CB B:ARG146 4.5 6.7 1.0
CG B:ARG146 4.6 5.7 1.0
CZ B:ARG146 4.8 9.2 1.0
NE B:ARG146 4.8 8.1 1.0
CD B:ARG137 5.0 11.8 1.0

Chlorine binding site 3 out of 8 in 1z9h

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Chlorine binding site 3 out of 8 in the Microsomal Prostaglandin E Synthase Type-2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Microsomal Prostaglandin E Synthase Type-2 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl380

b:10.9
occ:1.00
 OH B:TYR287 3.0 23.0 1.0
NH2 C:ARG137 3.6 27.3 1.0
CD C:ARG146 3.8 11.9 1.0
NH1 C:ARG146 3.9 2.0 1.0
NE C:ARG137 3.9 14.4 1.0
CD B:PRO254 4.2 20.4 1.0
CZ B:TYR287 4.2 15.0 1.0
CZ C:ARG137 4.2 16.9 1.0
CB C:ARG146 4.5 10.2 1.0
CE2 B:TYR287 4.5 15.7 1.0
OG1 B:THR253 4.6 22.1 1.0
CG C:ARG146 4.6 4.5 1.0
O B:ARG252 4.8 19.7 1.0
NE C:ARG146 4.8 9.1 1.0
CZ C:ARG146 4.8 4.7 1.0
CG B:PRO254 5.0 18.6 1.0

Chlorine binding site 4 out of 8 in 1z9h

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Chlorine binding site 4 out of 8 in the Microsomal Prostaglandin E Synthase Type-2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Microsomal Prostaglandin E Synthase Type-2 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl381

b:17.6
occ:1.00
 CL B:IMN381 0.0 17.6 1.0
C13 B:IMN381 1.7 17.2 1.0
C14 B:IMN381 2.7 20.7 1.0
C12 B:IMN381 2.7 17.8 1.0
CD2 B:TYR263 3.3 24.1 1.0
CD2 B:LEU347 3.3 8.7 1.0
CE2 B:TYR263 3.4 26.9 1.0
CB B:SER260 3.5 13.6 1.0
OG B:SER260 3.6 14.9 1.0
CA B:SER260 3.7 12.8 1.0
O B:SER260 3.7 18.9 1.0
C11 B:IMN381 4.0 20.2 1.0
C15 B:IMN381 4.0 20.9 1.0
C B:SER260 4.0 11.7 1.0
CG B:LEU347 4.1 11.2 1.0
CG1 B:ILE264 4.3 9.5 1.0
CD1 B:ILE264 4.4 10.7 1.0
CB B:VAL250 4.4 2.0 1.0
CG2 B:VAL250 4.5 2.0 1.0
CG B:TYR263 4.5 24.3 1.0
CD1 B:LEU347 4.6 8.7 1.0
CG1 B:VAL250 4.6 3.1 1.0
C10 B:IMN381 4.6 18.7 1.0
O B:VAL343 4.7 4.0 1.0
CZ B:TYR263 4.8 28.8 1.0

Chlorine binding site 5 out of 8 in 1z9h

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Chlorine binding site 5 out of 8 in the Microsomal Prostaglandin E Synthase Type-2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Microsomal Prostaglandin E Synthase Type-2 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl379

b:18.1
occ:1.00
 CL C:IMN379 0.0 18.1 1.0
C13 C:IMN379 1.7 13.5 1.0
C14 C:IMN379 2.7 19.1 1.0
C12 C:IMN379 2.7 17.1 1.0
CD2 C:TYR263 3.3 12.6 1.0
CD2 C:LEU347 3.3 19.9 1.0
CE2 C:TYR263 3.5 4.9 1.0
CB C:SER260 3.5 11.0 1.0
OG C:SER260 3.6 8.5 1.0
CA C:SER260 3.7 9.2 1.0
O C:SER260 3.8 13.1 1.0
C15 C:IMN379 4.0 17.4 1.0
C11 C:IMN379 4.1 17.3 1.0
CG C:LEU347 4.1 21.1 1.0
C C:SER260 4.1 7.7 1.0
CB C:VAL250 4.4 3.1 1.0
CG1 C:ILE264 4.4 5.2 1.0
CD1 C:ILE264 4.4 8.1 1.0
CG2 C:VAL250 4.4 7.7 1.0
CD1 C:LEU347 4.6 15.4 1.0
CG C:TYR263 4.6 12.4 1.0
CG1 C:VAL250 4.6 3.9 1.0
C10 C:IMN379 4.6 14.0 1.0
O C:VAL343 4.7 15.2 1.0
CZ C:TYR263 4.8 9.1 1.0

Chlorine binding site 6 out of 8 in 1z9h

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Chlorine binding site 6 out of 8 in the Microsomal Prostaglandin E Synthase Type-2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Microsomal Prostaglandin E Synthase Type-2 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl378

b:13.1
occ:1.00
 OH D:TYR287 3.0 15.3 1.0
NH2 A:ARG137 3.6 21.3 1.0
CD A:ARG146 3.7 17.7 1.0
NH1 A:ARG146 3.8 7.6 1.0
NE A:ARG137 4.0 19.3 1.0
CD D:PRO254 4.2 21.0 1.0
CZ D:TYR287 4.2 14.5 1.0
CZ A:ARG137 4.3 15.6 1.0
CB A:ARG146 4.4 11.9 1.0
CG A:ARG146 4.5 12.9 1.0
CE2 D:TYR287 4.6 16.2 1.0
OG1 D:THR253 4.6 18.6 1.0
NE A:ARG146 4.6 13.2 1.0
CZ A:ARG146 4.7 9.7 1.0
O D:ARG252 4.8 18.8 1.0
CG D:PRO254 5.0 20.3 1.0

Chlorine binding site 7 out of 8 in 1z9h

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Chlorine binding site 7 out of 8 in the Microsomal Prostaglandin E Synthase Type-2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Microsomal Prostaglandin E Synthase Type-2 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl475

b:15.6
occ:1.00
 NH2 D:ARG137 3.5 25.6 1.0
NH1 D:ARG146 3.8 2.5 1.0
NE D:ARG137 3.8 19.2 1.0
CD D:ARG146 3.8 6.0 1.0
CZ D:ARG137 4.1 17.0 1.0
CB D:ARG146 4.5 7.4 1.0
CG D:ARG146 4.6 7.5 1.0
CZ D:ARG146 4.7 5.8 1.0
NE D:ARG146 4.7 8.3 1.0
CD D:ARG137 5.0 15.2 1.0

Chlorine binding site 8 out of 8 in 1z9h

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Chlorine binding site 8 out of 8 in the Microsomal Prostaglandin E Synthase Type-2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Microsomal Prostaglandin E Synthase Type-2 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl476

b:15.8
occ:1.00
 CL D:IMN476 0.0 15.8 1.0
C13 D:IMN476 1.7 12.8 1.0
C14 D:IMN476 2.7 17.9 1.0
C12 D:IMN476 2.7 13.0 1.0
CD2 D:TYR263 3.3 19.8 1.0
CD2 D:LEU347 3.3 14.8 1.0
CE2 D:TYR263 3.5 17.5 1.0
CB D:SER260 3.5 18.0 1.0
OG D:SER260 3.6 19.6 1.0
CA D:SER260 3.7 14.5 1.0
O D:SER260 3.7 15.0 1.0
C D:SER260 4.0 10.9 1.0
C15 D:IMN476 4.0 16.4 1.0
C11 D:IMN476 4.0 12.8 1.0
CG D:LEU347 4.1 13.4 1.0
CG1 D:ILE264 4.3 8.3 1.0
CD1 D:ILE264 4.4 8.9 1.0
CB D:VAL250 4.4 9.0 1.0
CG2 D:VAL250 4.5 5.6 1.0
CG D:TYR263 4.6 15.6 1.0
CD1 D:LEU347 4.6 10.7 1.0
C10 D:IMN476 4.6 13.1 1.0
CG1 D:VAL250 4.7 6.4 1.0
O D:VAL343 4.7 14.7 1.0
CZ D:TYR263 4.8 18.8 1.0
OH D:TYR251 5.0 40.8 1.0

Reference:

T.Yamada, J.Komoto, K.Watanabe, Y.Ohmiya, F.Takusagawa. Crystal Structure and Possible Catalytic Mechanism of Microsomal Prostaglandin E Synthase Type 2 (Mpges-2). J.Mol.Biol. V. 348 1163 2005.
ISSN: ISSN 0022-2836
PubMed: 15854652
DOI: 10.1016/J.JMB.2005.03.035
Page generated: Sat Jul 20 04:36:48 2024

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