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Chlorine in PDB 4hps: Crystal Structure of A Pyrrolidone-Carboxylate Peptidase 1 (Target Id Nysgrc-012831) From Xenorhabdus Bovienii Ss-2004 in Space Group P21

Enzymatic activity of Crystal Structure of A Pyrrolidone-Carboxylate Peptidase 1 (Target Id Nysgrc-012831) From Xenorhabdus Bovienii Ss-2004 in Space Group P21

All present enzymatic activity of Crystal Structure of A Pyrrolidone-Carboxylate Peptidase 1 (Target Id Nysgrc-012831) From Xenorhabdus Bovienii Ss-2004 in Space Group P21:
3.4.19.3;

Protein crystallography data

The structure of Crystal Structure of A Pyrrolidone-Carboxylate Peptidase 1 (Target Id Nysgrc-012831) From Xenorhabdus Bovienii Ss-2004 in Space Group P21, PDB code: 4hps was solved by A.Ghosh, S.C.Almo, New York Structural Genomics Research Consortium(Nysgrc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 39.76 / 1.55
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 77.060, 73.340, 80.540, 90.00, 111.96, 90.00
R / Rfree (%) 17.3 / 20

Chlorine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 15;

Binding sites:

The binding sites of Chlorine atom in the Crystal Structure of A Pyrrolidone-Carboxylate Peptidase 1 (Target Id Nysgrc-012831) From Xenorhabdus Bovienii Ss-2004 in Space Group P21 (pdb code 4hps). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 15 binding sites of Chlorine where determined in the Crystal Structure of A Pyrrolidone-Carboxylate Peptidase 1 (Target Id Nysgrc-012831) From Xenorhabdus Bovienii Ss-2004 in Space Group P21, PDB code: 4hps:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 15 in 4hps

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Chlorine binding site 1 out of 15 in the Crystal Structure of A Pyrrolidone-Carboxylate Peptidase 1 (Target Id Nysgrc-012831) From Xenorhabdus Bovienii Ss-2004 in Space Group P21


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 A Pyrrolidone-Carboxylate Peptidase 1 (Target Id Nysgrc-012831) From Xenorhabdus Bovienii Ss-2004 in Space Group P21 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl301

b:71.2
occ:1.00
 ND1 A:HIS52 2.9 29.4 1.0
O A:HOH434 3.1 27.1 1.0
O A:GLN41 3.3 31.6 1.0
SG A:CYS40 3.7 34.6 1.0
CG A:HIS52 3.8 21.5 1.0
CB A:HIS52 3.8 23.3 1.0
CE1 A:HIS52 3.9 29.2 1.0
C A:GLN41 4.4 22.1 1.0
CG2 A:ILE42 4.6 17.8 0.5
CA A:ILE42 4.7 26.6 0.5
CA A:ILE42 4.7 28.4 0.5
CA A:HIS52 4.7 21.5 1.0
O A:HIS52 4.8 22.8 1.0
CD A:PRO43 4.8 22.4 1.0
CD2 A:HIS52 5.0 23.5 1.0

Chlorine binding site 2 out of 15 in 4hps

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Chlorine binding site 2 out of 15 in the Crystal Structure of A Pyrrolidone-Carboxylate Peptidase 1 (Target Id Nysgrc-012831) From Xenorhabdus Bovienii Ss-2004 in Space Group P21


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 A Pyrrolidone-Carboxylate Peptidase 1 (Target Id Nysgrc-012831) From Xenorhabdus Bovienii Ss-2004 in Space Group P21 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl302

b:26.1
occ:1.00
 O A:HOH420 3.1 27.7 1.0
N A:LEU186 3.2 23.3 1.0
O A:HOH423 3.2 26.0 1.0
O C:HOH472 3.3 49.4 1.0
CA A:THR185 3.7 16.2 1.0
CB A:THR185 3.8 20.1 1.0
CB A:LEU186 3.9 24.9 1.0
C A:THR185 4.0 19.6 1.0
CD A:PRO172 4.0 21.4 1.0
CA A:LEU186 4.2 21.8 1.0
CG2 A:THR185 4.3 21.4 1.0
CD2 A:LEU171 4.3 24.0 1.0
CG A:PRO172 4.3 20.2 1.0
O A:HOH473 4.6 44.9 1.0
O C:HOH533 4.6 32.1 1.0
O C:HOH549 4.8 59.8 1.0
OE1 A:GLU173 5.0 40.3 1.0
O C:HOH443 5.0 34.6 1.0

Chlorine binding site 3 out of 15 in 4hps

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Chlorine binding site 3 out of 15 in the Crystal Structure of A Pyrrolidone-Carboxylate Peptidase 1 (Target Id Nysgrc-012831) From Xenorhabdus Bovienii Ss-2004 in Space Group P21


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 A Pyrrolidone-Carboxylate Peptidase 1 (Target Id Nysgrc-012831) From Xenorhabdus Bovienii Ss-2004 in Space Group P21 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl301

b:57.4
occ:1.00
 N B:ARG90 3.1 36.6 1.0
O B:ASP88 3.1 28.6 1.0
O B:HOH418 3.3 24.8 1.0
CG B:ARG90 3.3 59.5 1.0
CA B:ALA89 3.7 30.1 1.0
CB B:ARG90 3.7 53.9 1.0
CB B:PHE141 3.7 23.9 1.0
NE B:ARG90 3.8 59.0 1.0
C B:ALA89 3.8 30.8 1.0
OG1 B:THR140 3.8 29.5 1.0
CD1 B:PHE141 3.9 27.1 1.0
CD B:ARG90 3.9 62.6 1.0
CA B:ARG90 4.0 42.8 1.0
C B:ASP88 4.1 27.0 1.0
CG B:PHE141 4.1 26.0 1.0
N B:PHE141 4.2 24.1 1.0
CA B:PHE141 4.2 25.1 1.0
C B:THR140 4.3 22.3 1.0
N B:ALA89 4.3 31.4 1.0
O B:THR140 4.4 27.1 1.0
CZ B:ARG90 4.7 58.2 1.0
CB B:ALA89 4.8 32.4 1.0
N B:THR140 4.9 23.2 1.0
O B:ALA89 4.9 37.2 1.0
CB B:THR140 4.9 26.8 1.0
CE1 B:PHE141 4.9 27.9 1.0
CA B:THR140 4.9 24.6 1.0
N B:ILE91 5.0 38.8 1.0

Chlorine binding site 4 out of 15 in 4hps

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Chlorine binding site 4 out of 15 in the Crystal Structure of A Pyrrolidone-Carboxylate Peptidase 1 (Target Id Nysgrc-012831) From Xenorhabdus Bovienii Ss-2004 in Space Group P21


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 A Pyrrolidone-Carboxylate Peptidase 1 (Target Id Nysgrc-012831) From Xenorhabdus Bovienii Ss-2004 in Space Group P21 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl302

b:54.4
occ:1.00
 O B:HOH509 2.5 47.5 1.0
N B:GLY72 2.9 20.6 1.0
O B:HOH477 2.9 41.2 1.0
O B:GLN70 3.5 22.0 1.0
CA B:GLY72 3.6 20.2 1.0
CZ B:PHE12 3.7 45.7 1.0
C B:ALA71 3.8 19.5 1.0
CG B:GLN70 3.8 29.2 1.0
CA B:ALA71 3.9 19.2 1.0
C B:GLN70 4.0 20.1 1.0
N B:ALA71 4.3 19.6 1.0
O B:GLY72 4.4 24.9 1.0
CE2 B:PHE12 4.5 47.6 1.0
OE1 B:GLN70 4.5 42.8 1.0
CD B:GLN70 4.5 37.6 1.0
NH2 B:ARG90 4.5 58.9 1.0
C B:GLY72 4.5 24.3 1.0
CE1 B:TYR170 4.7 35.5 1.0
CE1 B:PHE12 4.7 44.5 1.0
CB B:GLN70 4.7 25.5 1.0
OH B:TYR170 4.8 40.8 1.0
CZ B:TYR170 4.9 32.6 1.0

Chlorine binding site 5 out of 15 in 4hps

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Chlorine binding site 5 out of 15 in the Crystal Structure of A Pyrrolidone-Carboxylate Peptidase 1 (Target Id Nysgrc-012831) From Xenorhabdus Bovienii Ss-2004 in Space Group P21


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 A Pyrrolidone-Carboxylate Peptidase 1 (Target Id Nysgrc-012831) From Xenorhabdus Bovienii Ss-2004 in Space Group P21 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl303

b:48.9
occ:1.00
 O D:HOH630 2.6 39.3 1.0
O D:HOH413 2.8 21.9 1.0
O B:HOH419 2.9 23.2 1.0
SD B:MET187 3.5 71.3 1.0
SD D:MET187 3.8 65.6 1.0
CG B:MET187 3.9 39.5 1.0
CG D:MET187 4.0 46.1 1.0
CB B:THR185 4.0 17.1 1.0
CB B:MET187 4.1 26.7 1.0
CG2 B:THR185 4.2 19.3 1.0
OG1 B:THR185 4.2 17.9 1.0
CE B:MET187 4.3 41.0 1.0
CB D:MET187 4.5 25.1 1.0
O B:HOH458 4.7 36.5 1.0
OG1 D:THR185 4.9 19.9 1.0
O D:HOH465 4.9 28.7 1.0
N B:MET187 4.9 25.0 1.0

Chlorine binding site 6 out of 15 in 4hps

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Chlorine binding site 6 out of 15 in the Crystal Structure of A Pyrrolidone-Carboxylate Peptidase 1 (Target Id Nysgrc-012831) From Xenorhabdus Bovienii Ss-2004 in Space Group P21


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Crystal Structure of A Pyrrolidone-Carboxylate Peptidase 1 (Target Id Nysgrc-012831) From Xenorhabdus Bovienii Ss-2004 in Space Group P21 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl304

b:25.0
occ:1.00
 O B:HOH419 3.1 23.2 1.0
O B:HOH581 3.2 25.9 1.0
N B:LEU186 3.2 20.6 1.0
CA B:THR185 3.7 15.9 1.0
CB B:THR185 3.8 17.1 1.0
CD B:PRO172 3.9 23.4 1.0
CB B:LEU186 4.0 21.4 1.0
C B:THR185 4.0 18.2 1.0
CA B:LEU186 4.2 19.3 1.0
CD2 B:LEU171 4.2 25.8 1.0
CG B:PRO172 4.3 21.4 1.0
CG2 B:THR185 4.3 19.3 1.0
O D:HOH452 4.6 31.4 1.0
O B:HOH458 4.7 36.5 1.0
OE1 B:GLU173 4.8 41.5 1.0
N B:THR185 5.0 16.6 1.0

Chlorine binding site 7 out of 15 in 4hps

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Chlorine binding site 7 out of 15 in the Crystal Structure of A Pyrrolidone-Carboxylate Peptidase 1 (Target Id Nysgrc-012831) From Xenorhabdus Bovienii Ss-2004 in Space Group P21


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Crystal Structure of A Pyrrolidone-Carboxylate Peptidase 1 (Target Id Nysgrc-012831) From Xenorhabdus Bovienii Ss-2004 in Space Group P21 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl305

b:28.1
occ:0.69
 O B:HOH420 2.9 22.3 1.0
N B:GLN136 3.0 20.1 1.0
NE2 B:GLN136 3.5 29.1 1.0
O C:HOH422 3.7 30.8 1.0
CB B:GLN136 3.8 26.4 1.0
CA B:GLN136 3.8 21.3 1.0
CA B:SER135 3.8 16.9 1.0
C B:SER135 3.9 15.9 1.0
OG B:SER135 3.9 19.7 1.0
N B:THR137 4.0 18.5 1.0
CG2 C:THR137 4.3 24.1 1.0
C B:GLN136 4.3 23.9 1.0
CG2 B:THR137 4.3 20.9 1.0
O B:HOH429 4.3 30.1 1.0
CB B:SER135 4.3 19.3 1.0
CD B:GLN136 4.4 33.2 1.0
O B:HOH438 4.4 32.3 1.0
CG B:GLN136 4.7 40.5 1.0
O B:HOH468 4.7 35.3 1.0
O B:HOH578 4.8 52.5 1.0
O B:VAL134 4.8 20.3 1.0
CB C:THR137 5.0 23.6 1.0
OG1 C:THR137 5.0 22.6 1.0

Chlorine binding site 8 out of 15 in 4hps

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Chlorine binding site 8 out of 15 in the Crystal Structure of A Pyrrolidone-Carboxylate Peptidase 1 (Target Id Nysgrc-012831) From Xenorhabdus Bovienii Ss-2004 in Space Group P21


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Crystal Structure of A Pyrrolidone-Carboxylate Peptidase 1 (Target Id Nysgrc-012831) From Xenorhabdus Bovienii Ss-2004 in Space Group P21 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl301

b:32.6
occ:0.63
 O B:HOH501 3.0 44.1 1.0
CL C:CL303 3.0 54.2 1.0
N C:THR140 3.1 22.3 1.0
CA C:GLY139 3.6 20.9 1.0
OG1 C:THR140 3.8 27.3 1.0
N C:PHE141 3.8 24.1 1.0
C C:GLY139 3.9 22.6 1.0
CB C:PHE141 4.1 22.1 1.0
O C:HOH457 4.1 44.0 1.0
CA C:THR140 4.1 25.2 1.0
C C:THR140 4.2 26.5 1.0
O C:HOH413 4.5 23.1 1.0
CB C:THR140 4.6 23.6 1.0
CA C:PHE141 4.6 26.1 1.0
O C:HOH467 4.8 46.9 1.0
N C:GLY139 5.0 21.1 1.0

Chlorine binding site 9 out of 15 in 4hps

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Chlorine binding site 9 out of 15 in the Crystal Structure of A Pyrrolidone-Carboxylate Peptidase 1 (Target Id Nysgrc-012831) From Xenorhabdus Bovienii Ss-2004 in Space Group P21


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Crystal Structure of A Pyrrolidone-Carboxylate Peptidase 1 (Target Id Nysgrc-012831) From Xenorhabdus Bovienii Ss-2004 in Space Group P21 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl302

b:28.1
occ:1.00
 O C:HOH414 3.2 23.9 1.0
O C:HOH442 3.2 41.5 1.0
N C:LEU186 3.2 25.8 1.0
O C:HOH418 3.2 24.9 1.0
CA C:THR185 3.7 20.9 1.0
CB C:THR185 3.8 20.4 1.0
CD C:PRO172 3.9 19.6 1.0
CB C:LEU186 3.9 25.5 1.0
C C:THR185 4.0 20.2 1.0
CG C:PRO172 4.2 18.8 1.0
CA C:LEU186 4.2 26.3 1.0
CD2 C:LEU171 4.2 24.2 1.0
CG2 C:THR185 4.3 24.4 1.0
O A:HOH437 4.4 27.4 1.0
O C:HOH469 4.8 45.8 1.0
CB C:PRO172 4.9 20.0 1.0

Chlorine binding site 10 out of 15 in 4hps

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Chlorine binding site 10 out of 15 in the Crystal Structure of A Pyrrolidone-Carboxylate Peptidase 1 (Target Id Nysgrc-012831) From Xenorhabdus Bovienii Ss-2004 in Space Group P21


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Crystal Structure of A Pyrrolidone-Carboxylate Peptidase 1 (Target Id Nysgrc-012831) From Xenorhabdus Bovienii Ss-2004 in Space Group P21 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl303

b:54.2
occ:1.00
 N C:ARG90 3.0 36.7 1.0
O C:ASP88 3.0 26.2 1.0
CL C:CL301 3.0 32.6 0.6
CB C:ARG90 3.4 43.6 1.0
CB C:PHE141 3.8 22.1 1.0
CA C:ALA89 3.8 28.9 1.0
CA C:ARG90 3.8 37.4 1.0
OG1 C:THR140 3.9 27.3 1.0
C C:ALA89 3.9 35.1 1.0
C C:ASP88 4.1 24.4 1.0
CD1 C:PHE141 4.1 28.3 1.0
N C:PHE141 4.2 24.1 1.0
CG C:PHE141 4.2 27.7 1.0
CA C:PHE141 4.2 26.1 1.0
C C:THR140 4.3 26.5 1.0
O C:THR140 4.4 26.4 1.0
N C:ALA89 4.4 25.8 1.0
O C:HOH457 4.5 44.0 1.0
NE C:ARG90 4.7 61.8 1.0
CG C:ARG90 4.7 52.8 1.0
N C:THR140 4.8 22.3 1.0
CD C:ARG90 4.9 60.1 1.0
N C:ILE91 4.9 41.0 1.0
CA C:THR140 4.9 25.2 1.0
CB C:ALA89 4.9 28.5 1.0
C C:ARG90 5.0 47.3 1.0
CB C:THR140 5.0 23.6 1.0

Reference:

A.Ghosh, A.Ahmed, R.Banu, R.Bhoshle, J.Bonanno, S.Chamala, S.Chowdhury, A.Fiser, A.S.Glenn, B.Hillerich, K.Khafizov, J.Lafleur, J.D.Love, R.Seidel, M.Stead, R.Toro, S.C.Almo. Crystal Structure of A Pyrrolidone-Carboxylate Peptidase 1 (Target Id Nysgrc-012831) From Xenorhabdus Bovienii Ss-2004 in Space Group P21 To Be Published.
Page generated: Sun Jul 21 16:00:37 2024

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