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Chlorine in PDB 3pw3: Crystal Structure of A Cysteine Protease (BDI_2249) From Parabacteroides Distasonis Atcc 8503 at 2.23 A Resolution

Protein crystallography data

The structure of Crystal Structure of A Cysteine Protease (BDI_2249) From Parabacteroides Distasonis Atcc 8503 at 2.23 A Resolution, PDB code: 3pw3 was solved by Joint Center For Structural Genomics (Jcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.97 / 2.23
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 104.592, 137.810, 223.165, 90.00, 90.00, 90.00
R / Rfree (%) 15.9 / 18.1

Other elements in 3pw3:

The structure of Crystal Structure of A Cysteine Protease (BDI_2249) From Parabacteroides Distasonis Atcc 8503 at 2.23 A Resolution also contains other interesting chemical elements:

Potassium (K) 10 atoms
Zinc (Zn) 6 atoms

Chlorine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 14;

Binding sites:

The binding sites of Chlorine atom in the Crystal Structure of A Cysteine Protease (BDI_2249) From Parabacteroides Distasonis Atcc 8503 at 2.23 A Resolution (pdb code 3pw3). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 14 binding sites of Chlorine where determined in the Crystal Structure of A Cysteine Protease (BDI_2249) From Parabacteroides Distasonis Atcc 8503 at 2.23 A Resolution, PDB code: 3pw3:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 14 in 3pw3

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Chlorine binding site 1 out of 14 in the Crystal Structure of A Cysteine Protease (BDI_2249) From Parabacteroides Distasonis Atcc 8503 at 2.23 A Resolution


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 Cysteine Protease (BDI_2249) From Parabacteroides Distasonis Atcc 8503 at 2.23 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl421

b:70.3
occ:1.00
 O A:HOH1674 3.2 50.4 1.0
NZ A:LYS377 3.6 33.4 1.0
CD A:LYS377 4.1 28.3 1.0
OD2 A:ASP257 4.2 49.2 1.0
O A:HOH572 4.2 27.2 1.0
O A:HOH615 4.3 29.2 1.0
CE A:LYS377 4.4 31.1 1.0
O A:HOH627 4.4 27.6 1.0
CG A:ASP257 4.5 41.4 1.0
OD1 A:ASP257 4.6 40.1 1.0
O A:HOH1524 4.7 47.1 1.0
CB A:MSE253 4.8 22.1 1.0
O A:HOH954 4.8 37.1 1.0
OH A:TYR357 4.9 26.1 1.0

Chlorine binding site 2 out of 14 in 3pw3

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Chlorine binding site 2 out of 14 in the Crystal Structure of A Cysteine Protease (BDI_2249) From Parabacteroides Distasonis Atcc 8503 at 2.23 A Resolution


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 Cysteine Protease (BDI_2249) From Parabacteroides Distasonis Atcc 8503 at 2.23 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl417

b:60.1
occ:0.50
 NE2 B:HIS340 0.7 33.7 0.5
CE1 B:HIS340 1.0 31.3 0.5
CD2 B:HIS340 2.0 32.7 0.5
ND1 B:HIS340 2.2 30.9 0.5
CG B:HIS340 2.6 32.4 0.5
OD1 B:ASN361 3.2 32.8 1.0
CZ2 B:TRP363 3.4 55.6 1.0
NE1 B:TRP363 3.4 35.3 1.0
CE2 B:TRP363 3.5 42.5 1.0
ZN B:ZN406 3.6 33.9 1.0
O B:ACT441 3.9 60.8 1.0
CB B:HIS340 4.1 31.4 0.5
OE1 B:GLN50 4.1 26.1 1.0
CG B:ASN361 4.2 31.1 1.0
CG B:MSE342 4.2 33.6 1.0
CB B:CYS56 4.2 27.0 1.0
CB B:HIS340 4.2 29.8 0.5
O B:GLY341 4.3 21.2 1.0
CH2 B:TRP363 4.3 58.6 1.0
CD1 B:TRP363 4.3 37.1 1.0
O B:HOH606 4.4 28.7 1.0
ND2 B:ASN361 4.4 39.5 1.0
CD2 B:TRP363 4.5 42.9 1.0
SE B:MSE342 4.6 45.9 0.8
OG B:SER362 4.6 23.9 1.0
CG B:HIS340 4.7 30.0 0.5
SG B:CYS56 4.7 30.2 1.0
ND1 B:HIS340 4.8 27.6 0.5
C B:ACT441 4.9 49.4 1.0
OXT B:ACT441 4.9 35.7 1.0
CG B:TRP363 5.0 37.0 1.0

Chlorine binding site 3 out of 14 in 3pw3

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Chlorine binding site 3 out of 14 in the Crystal Structure of A Cysteine Protease (BDI_2249) From Parabacteroides Distasonis Atcc 8503 at 2.23 A Resolution


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 Cysteine Protease (BDI_2249) From Parabacteroides Distasonis Atcc 8503 at 2.23 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl417

b:70.6
occ:0.50
 CE1 B:HIS340 1.2 29.0 0.5
ND1 B:HIS340 1.4 27.6 0.5
NE2 B:HIS340 1.7 30.9 0.5
CG B:HIS340 2.0 30.0 0.5
CD2 B:HIS340 2.1 30.9 0.5
ZN B:ZN406 3.2 33.9 1.0
CB B:HIS340 3.2 29.8 0.5
CB B:HIS340 3.3 31.4 0.5
CA B:HIS340 3.5 30.8 0.5
CA B:HIS340 3.5 30.3 0.5
O B:HOH1868 3.7 53.7 1.0
N B:HIS340 3.8 33.0 1.0
O B:ASP339 3.8 47.8 1.0
C B:ASP339 3.9 39.2 1.0
ND1 B:HIS340 4.0 30.9 0.5
OXT B:ACT441 4.0 35.7 1.0
CG B:HIS340 4.1 32.4 0.5
O B:ASP338 4.1 49.1 1.0
SG B:CYS56 4.4 30.2 1.0
C B:ACT441 4.4 49.4 1.0
C B:ASP338 4.5 43.6 1.0
CB B:ASP338 4.7 65.6 1.0
OD1 B:ASP338 4.8 88.0 1.0
N B:ASP339 4.8 37.3 1.0
CH3 B:ACT441 4.9 71.0 1.0
O B:HOH1167 4.9 41.0 1.0
O B:ACT441 5.0 60.8 1.0

Chlorine binding site 4 out of 14 in 3pw3

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Chlorine binding site 4 out of 14 in the Crystal Structure of A Cysteine Protease (BDI_2249) From Parabacteroides Distasonis Atcc 8503 at 2.23 A Resolution


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 Cysteine Protease (BDI_2249) From Parabacteroides Distasonis Atcc 8503 at 2.23 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl422

b:73.0
occ:1.00
 ZN D:ZN406 2.6 37.7 1.0
NE1 B:TRP302 2.9 98.8 1.0
CB D:HIS340 3.3 41.2 1.0
CZ2 B:TRP302 3.3 0.4 1.0
CE2 B:TRP302 3.4 0.3 1.0
ND1 D:HIS340 3.5 44.5 1.0
CA D:HIS340 3.6 43.2 1.0
OD2 B:ASP298 3.8 58.2 1.0
CG D:HIS340 3.9 45.9 1.0
SG D:CYS56 4.0 41.4 1.0
OD1 B:ASP298 4.1 62.2 1.0
N D:HIS340 4.1 45.4 1.0
CD1 B:TRP302 4.1 96.4 1.0
O D:ASP339 4.2 62.3 1.0
CG B:ASP298 4.3 64.5 1.0
C D:ASP339 4.4 59.0 1.0
O D:HOH1396 4.5 45.3 1.0
CH2 B:TRP302 4.6 0.8 1.0
O D:ASP338 4.7 56.0 1.0
CD2 B:TRP302 4.7 0.8 1.0
CE1 D:HIS340 4.8 45.9 1.0

Chlorine binding site 5 out of 14 in 3pw3

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Chlorine binding site 5 out of 14 in the Crystal Structure of A Cysteine Protease (BDI_2249) From Parabacteroides Distasonis Atcc 8503 at 2.23 A Resolution


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 Cysteine Protease (BDI_2249) From Parabacteroides Distasonis Atcc 8503 at 2.23 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl423

b:67.5
occ:1.00
 O B:ASN49 3.5 22.3 1.0
N B:ASN49 3.5 23.4 1.0
O B:HOH904 3.6 34.5 1.0
O B:HOH1200 3.7 40.9 1.0
O B:HOH578 4.0 26.7 1.0
C B:ASN49 4.2 21.3 1.0
CD2 B:LEU139 4.2 28.7 1.0
CB B:LYS48 4.2 22.9 1.0
O B:HOH1992 4.2 53.6 1.0
CA B:ASN49 4.2 23.1 1.0
CE2 B:TYR59 4.3 25.4 1.0
OH B:TYR59 4.3 27.4 1.0
O B:HOH494 4.3 23.0 1.0
CA B:LYS48 4.4 22.7 1.0
C B:LYS48 4.5 23.1 1.0
CB B:ASN49 4.5 22.9 1.0
O B:HOH1141 4.5 40.1 1.0
CG B:PRO131 4.7 27.0 1.0
CZ B:TYR59 4.8 25.3 1.0
O B:HOH1488 4.8 46.3 1.0
CD B:LYS48 4.8 25.7 1.0
OE2 B:GLU126 5.0 28.3 1.0
CG B:LYS48 5.0 24.9 1.0

Chlorine binding site 6 out of 14 in 3pw3

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Chlorine binding site 6 out of 14 in the Crystal Structure of A Cysteine Protease (BDI_2249) From Parabacteroides Distasonis Atcc 8503 at 2.23 A Resolution


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 Cysteine Protease (BDI_2249) From Parabacteroides Distasonis Atcc 8503 at 2.23 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl427

b:60.8
occ:1.00
 O B:HOH1540 3.1 43.4 1.0
N B:MSE172 3.2 26.5 1.0
CA B:ALA171 3.5 28.8 1.0
O B:HOH939 3.6 34.5 1.0
CG B:MSE172 3.8 30.7 1.0
CD B:LYS175 3.9 26.4 1.0
C B:ALA171 3.9 27.8 1.0
CB B:ALA171 4.0 26.8 1.0
CB B:MSE172 4.1 26.1 1.0
CA B:MSE172 4.2 25.8 1.0
O B:ASN170 4.3 30.8 1.0
NZ B:LYS175 4.6 29.9 1.0
CE B:LYS175 4.6 28.6 1.0
N B:ALA171 4.7 28.8 1.0
O B:MSE172 4.8 24.9 1.0
CG B:LYS175 4.9 26.5 1.0
C B:ASN170 5.0 30.9 1.0
CB B:LYS175 5.0 23.8 1.0

Chlorine binding site 7 out of 14 in 3pw3

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Chlorine binding site 7 out of 14 in the Crystal Structure of A Cysteine Protease (BDI_2249) From Parabacteroides Distasonis Atcc 8503 at 2.23 A Resolution


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 Cysteine Protease (BDI_2249) From Parabacteroides Distasonis Atcc 8503 at 2.23 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl426

b:58.9
occ:1.00
 O D:HOH2022 3.1 52.8 1.0
O D:HOH928 3.2 34.9 1.0
N D:MSE172 3.2 35.3 1.0
CA D:ALA171 3.6 35.8 1.0
CD D:LYS175 3.7 33.3 1.0
CG D:MSE172 3.9 36.0 1.0
C D:ALA171 3.9 36.2 1.0
CB D:MSE172 4.1 33.6 1.0
CB D:ALA171 4.1 36.2 1.0
CA D:MSE172 4.2 33.6 1.0
NZ D:LYS175 4.4 36.5 1.0
O D:ASN170 4.5 36.1 1.0
CE D:LYS175 4.5 35.9 1.0
O D:MSE172 4.8 29.4 1.0
CG D:LYS175 4.8 31.2 1.0
CB D:LYS175 4.8 29.9 1.0
N D:ALA171 4.8 37.2 1.0

Chlorine binding site 8 out of 14 in 3pw3

Go back to Chlorine Binding Sites List in 3pw3
Chlorine binding site 8 out of 14 in the Crystal Structure of A Cysteine Protease (BDI_2249) From Parabacteroides Distasonis Atcc 8503 at 2.23 A Resolution


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 Cysteine Protease (BDI_2249) From Parabacteroides Distasonis Atcc 8503 at 2.23 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl419

b:86.2
occ:1.00
 ZN C:ZN406 2.9 45.4 1.0
NE1 E:TRP302 3.2 0.6 1.0
CB C:HIS340 3.2 49.2 1.0
CZ2 E:TRP302 3.5 0.9 1.0
CA C:HIS340 3.5 48.4 1.0
CE2 E:TRP302 3.6 0.8 1.0
ND1 C:HIS340 3.6 49.5 1.0
CG C:HIS340 3.9 51.9 1.0
OD2 E:ASP298 3.9 74.2 1.0
N C:HIS340 3.9 51.9 1.0
O C:ASP339 4.1 70.4 1.0
C C:ASP339 4.2 62.5 1.0
SG C:CYS56 4.2 43.3 1.0
OD1 E:ASP298 4.3 77.4 1.0
CD1 E:TRP302 4.4 0.7 1.0
O C:ASP338 4.4 70.3 1.0
CG E:ASP298 4.5 80.4 1.0
CH2 E:TRP302 4.7 0.7 1.0
C C:ASP338 4.8 66.3 1.0
CE1 C:HIS340 4.9 52.3 1.0
CD2 E:TRP302 4.9 0.8 1.0
CB C:ASP338 5.0 83.8 1.0
C C:HIS340 5.0 46.4 1.0

Chlorine binding site 9 out of 14 in 3pw3

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Chlorine binding site 9 out of 14 in the Crystal Structure of A Cysteine Protease (BDI_2249) From Parabacteroides Distasonis Atcc 8503 at 2.23 A Resolution


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 Cysteine Protease (BDI_2249) From Parabacteroides Distasonis Atcc 8503 at 2.23 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl420

b:65.6
occ:0.50
 CE1 E:HIS340 0.8 35.7 0.5
NE2 E:HIS340 1.0 37.2 0.5
ND1 E:HIS340 1.8 33.1 0.5
CD2 E:HIS340 2.0 37.4 0.5
CG E:HIS340 2.4 36.0 0.5
CZ2 E:TRP363 3.1 67.5 1.0
ZN E:ZN406 3.3 39.1 1.0
NE1 E:TRP363 3.3 54.5 1.0
CE2 E:TRP363 3.4 58.1 1.0
OD1 E:ASN361 3.7 43.1 1.0
CB E:HIS340 3.9 34.0 0.5
CB E:HIS340 4.0 32.0 0.5
CH2 E:TRP363 4.2 69.8 1.0
ND1 E:HIS340 4.2 30.6 0.5
OE1 E:GLN50 4.2 36.3 1.0
CG E:HIS340 4.3 32.5 0.5
CB E:CYS56 4.3 32.8 1.0
CD1 E:TRP363 4.5 48.8 1.0
O E:HOH590 4.5 27.2 1.0
O E:GLY341 4.6 24.6 1.0
SG E:CYS56 4.6 36.1 1.0
CD2 E:TRP363 4.6 58.5 1.0
CG E:ASN361 4.7 39.6 1.0
CG E:MSE342 4.7 37.6 1.0
O E:HOH610 4.7 28.1 1.0
ND2 E:ASN361 4.8 43.8 1.0
SE E:MSE342 4.9 50.7 0.8
CA E:HIS340 5.0 34.1 0.5
OG E:SER362 5.0 30.1 1.0

Chlorine binding site 10 out of 14 in 3pw3

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Chlorine binding site 10 out of 14 in the Crystal Structure of A Cysteine Protease (BDI_2249) From Parabacteroides Distasonis Atcc 8503 at 2.23 A Resolution


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 Cysteine Protease (BDI_2249) From Parabacteroides Distasonis Atcc 8503 at 2.23 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl420

b:69.0
occ:0.50
 NE2 E:HIS340 1.3 33.5 0.5
CE1 E:HIS340 1.3 32.0 0.5
ND1 E:HIS340 1.9 30.6 0.5
CD2 E:HIS340 1.9 33.5 0.5
CG E:HIS340 2.3 32.5 0.5
CB E:HIS340 3.6 32.0 0.5
ZN E:ZN406 3.7 39.1 1.0
CB E:HIS340 3.7 34.0 0.5
O E:ASP338 3.9 63.0 1.0
CA E:HIS340 4.0 34.1 0.5
CA E:HIS340 4.0 33.3 0.5
CB E:ASP338 4.1 77.0 1.0
N E:HIS340 4.1 35.2 1.0
O E:ASP339 4.2 47.9 1.0
C E:ASP338 4.2 53.8 1.0
C E:ASP339 4.2 42.0 1.0
OD1 E:ASP338 4.3 96.8 1.0
ND1 E:HIS340 4.5 33.1 0.5
O E:HOH590 4.5 27.2 1.0
O E:HOH2053 4.5 55.9 1.0
CG E:HIS340 4.6 36.0 0.5
CG E:ASP338 4.6 84.4 1.0
CA E:ASP338 4.7 66.5 1.0
N E:ASP339 4.7 45.2 1.0
O E:HOH2347 4.8 64.3 1.0

Reference:

Joint Center For Structural Genomics (Jcsg), Joint Center For Structural Genomics (Jcsg). N/A N/A.
Page generated: Sun Jul 21 02:37:03 2024

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