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Chlorine in PDB 2pnk: Crystal Structure of An Uronate Isomerase (BH0493) From Bacillus Halodurans C-125 at 2.00 A Resolution

Protein crystallography data

The structure of Crystal Structure of An Uronate Isomerase (BH0493) From Bacillus Halodurans C-125 at 2.00 A Resolution, PDB code: 2pnk 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) 48.56 / 2.00
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 273.720, 158.560, 181.240, 90.00, 116.03, 90.00
R / Rfree (%) 14.8 / 17.8

Other elements in 2pnk:

The structure of Crystal Structure of An Uronate Isomerase (BH0493) From Bacillus Halodurans C-125 at 2.00 A Resolution also contains other interesting chemical elements:

Arsenic (As) 3 atoms
Sodium (Na) 3 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of An Uronate Isomerase (BH0493) From Bacillus Halodurans C-125 at 2.00 A Resolution (pdb code 2pnk). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 8 binding sites of Chlorine where determined in the Crystal Structure of An Uronate Isomerase (BH0493) From Bacillus Halodurans C-125 at 2.00 A Resolution, PDB code: 2pnk:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Chlorine binding site 1 out of 8 in 2pnk

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Chlorine binding site 1 out of 8 in the Crystal Structure of An Uronate Isomerase (BH0493) From Bacillus Halodurans C-125 at 2.00 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 An Uronate Isomerase (BH0493) From Bacillus Halodurans C-125 at 2.00 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl429

b:17.5
occ:1.00
 NZ B:LYS278 3.0 19.7 1.0
NZ C:LYS278 3.2 15.4 1.0
NZ A:LYS278 3.3 15.3 1.0
CG A:GLU304 3.6 22.9 1.0
CG B:GLU304 3.6 13.6 1.0
CB B:GLU304 3.7 19.5 1.0
CG C:GLU304 3.7 17.9 1.0
CD C:LYS278 3.7 21.8 1.0
CB C:GLU304 3.7 18.6 1.0
CB A:GLU304 3.8 18.9 1.0
CD A:LYS278 3.8 19.7 1.0
CD B:LYS278 3.8 24.4 1.0
CE B:LYS278 3.9 20.6 1.0
CE C:LYS278 3.9 18.7 1.0
CE A:LYS278 4.0 27.6 1.0
O B:HOH447 4.8 19.5 1.0
O C:HOH439 4.8 18.1 1.0
O B:HOH482 4.8 26.0 1.0
O A:HOH485 4.9 22.2 1.0
O C:HOH491 4.9 32.3 1.0
CA B:GLU304 4.9 18.3 1.0
O A:HOH558 4.9 29.8 1.0
CD A:GLU304 5.0 31.1 1.0
CA C:GLU304 5.0 18.9 1.0

Chlorine binding site 2 out of 8 in 2pnk

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Chlorine binding site 2 out of 8 in the Crystal Structure of An Uronate Isomerase (BH0493) From Bacillus Halodurans C-125 at 2.00 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 An Uronate Isomerase (BH0493) From Bacillus Halodurans C-125 at 2.00 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl428

b:24.4
occ:1.00
 NZ E:LYS278 3.0 17.7 1.0
NZ F:LYS278 3.1 21.4 1.0
NZ D:LYS278 3.2 18.4 1.0
CD F:LYS278 3.5 16.4 1.0
CG F:GLU304 3.6 19.1 1.0
CG D:GLU304 3.6 20.8 1.0
CG E:GLU304 3.7 16.9 1.0
CD E:LYS278 3.7 13.8 1.0
CE E:LYS278 3.7 14.0 1.0
CB E:GLU304 3.7 18.5 1.0
CB F:GLU304 3.7 20.3 1.0
CE F:LYS278 3.8 25.1 1.0
CB D:GLU304 3.8 23.1 1.0
CD D:LYS278 3.8 14.2 1.0
CE D:LYS278 3.8 22.4 1.0
O D:HOH568 4.7 43.5 1.0
O E:HOH449 4.9 25.4 1.0
O E:HOH490 4.9 34.3 1.0
O D:HOH454 4.9 25.1 1.0
O D:HOH455 4.9 26.1 1.0
CG F:LYS278 4.9 19.2 1.0
CD D:GLU304 5.0 28.4 1.0
CD F:GLU304 5.0 31.2 1.0

Chlorine binding site 3 out of 8 in 2pnk

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Chlorine binding site 3 out of 8 in the Crystal Structure of An Uronate Isomerase (BH0493) From Bacillus Halodurans C-125 at 2.00 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 An Uronate Isomerase (BH0493) From Bacillus Halodurans C-125 at 2.00 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Cl428

b:71.3
occ:1.00
 O G:HOH785 2.8 48.5 1.0
O G:HOH790 3.2 50.8 1.0
O G:HOH795 3.2 49.5 1.0
O G:HIS251 3.3 28.1 1.0
O G:ASN252 3.6 27.9 1.0
NH2 G:ARG414 3.8 86.0 1.0
O G:HOH537 3.8 25.4 1.0
CZ G:ARG414 4.2 84.1 1.0
NE G:ARG414 4.2 80.5 1.0
C G:ASN252 4.3 26.7 1.0
O G:GLY413 4.4 46.1 1.0
O G:VAL412 4.4 28.2 1.0
C G:HIS251 4.5 26.8 1.0
CB G:ASN252 4.6 28.9 1.0
CG1 G:ILE253 4.6 29.0 1.0
O G:HOH613 4.6 33.0 1.0
CA G:ASN252 4.9 28.4 1.0

Chlorine binding site 4 out of 8 in 2pnk

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Chlorine binding site 4 out of 8 in the Crystal Structure of An Uronate Isomerase (BH0493) From Bacillus Halodurans C-125 at 2.00 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 An Uronate Isomerase (BH0493) From Bacillus Halodurans C-125 at 2.00 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Cl429

b:14.8
occ:1.00
 NZ I:LYS278 3.0 18.5 1.0
NZ H:LYS278 3.1 17.2 1.0
NZ G:LYS278 3.1 18.7 1.0
CG I:GLU304 3.6 16.1 1.0
CG H:GLU304 3.6 20.2 1.0
CB I:GLU304 3.7 16.8 1.0
CG G:GLU304 3.7 20.4 1.0
CD G:LYS278 3.7 19.2 1.0
CB H:GLU304 3.7 20.3 1.0
CE G:LYS278 3.8 16.2 1.0
CB G:GLU304 3.8 19.9 1.0
CD I:LYS278 3.8 10.6 1.0
CE I:LYS278 3.8 13.6 1.0
CD H:LYS278 3.8 15.2 1.0
CE H:LYS278 3.9 20.2 1.0
O I:HOH487 4.8 26.9 1.0
O H:HOH492 4.8 21.1 1.0
O G:HOH512 4.9 24.5 1.0
O I:HOH452 4.9 18.2 1.0
CA I:GLU304 5.0 18.2 1.0
O H:HOH454 5.0 16.4 1.0
CD H:GLU304 5.0 32.1 1.0

Chlorine binding site 5 out of 8 in 2pnk

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Chlorine binding site 5 out of 8 in the Crystal Structure of An Uronate Isomerase (BH0493) From Bacillus Halodurans C-125 at 2.00 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 An Uronate Isomerase (BH0493) From Bacillus Halodurans C-125 at 2.00 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Cl430

b:53.7
occ:1.00
 O G:HOH461 3.1 18.6 1.0
O G:HOH686 3.2 41.5 1.0
ND2 G:ASN235 3.3 22.4 1.0
N G:GLU179 3.3 25.4 1.0
N G:TYR178 3.6 21.5 1.0
CB G:GLU179 3.6 30.2 1.0
O G:HOH465 4.0 19.3 1.0
CA G:GLU179 4.1 27.7 1.0
C G:GLU177 4.1 22.1 1.0
CB G:TYR178 4.2 22.6 1.0
CA G:TYR178 4.2 22.0 1.0
C G:TYR178 4.2 23.9 1.0
CG G:ASN235 4.3 27.0 1.0
O G:HOH559 4.3 30.1 1.0
CB G:ASN235 4.3 22.9 1.0
O G:ASN176 4.4 21.6 1.0
CA G:GLU177 4.4 24.6 1.0
CG G:GLU179 4.8 39.6 1.0
N G:GLU177 4.8 22.7 1.0
C G:ASN176 4.8 23.2 1.0
OE1 G:GLU179 4.8 43.9 1.0
O G:GLU177 4.9 22.8 1.0

Chlorine binding site 6 out of 8 in 2pnk

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Chlorine binding site 6 out of 8 in the Crystal Structure of An Uronate Isomerase (BH0493) From Bacillus Halodurans C-125 at 2.00 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 An Uronate Isomerase (BH0493) From Bacillus Halodurans C-125 at 2.00 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Cl429

b:72.6
occ:1.00
 O G:HOH761 3.6 47.6 1.0
O H:HOH572 3.9 31.3 1.0
O G:HOH454 4.2 17.0 1.0
O H:PRO331 4.4 22.4 1.0
CB H:ASN335 4.4 22.0 1.0
CG H:ASN335 4.5 20.5 1.0
ND2 H:ASN335 4.6 18.5 1.0
O G:HOH721 4.7 42.4 1.0
C H:PRO331 4.7 21.8 1.0
CB H:PRO331 4.8 25.1 1.0
O G:HOH620 4.8 32.6 1.0
OE1 H:GLU332 4.9 37.0 1.0
OD1 H:ASN335 5.0 18.8 1.0

Chlorine binding site 7 out of 8 in 2pnk

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Chlorine binding site 7 out of 8 in the Crystal Structure of An Uronate Isomerase (BH0493) From Bacillus Halodurans C-125 at 2.00 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 An Uronate Isomerase (BH0493) From Bacillus Halodurans C-125 at 2.00 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
J:Cl429

b:11.0
occ:1.00
 NZ L:LYS278 3.1 17.6 1.0
NZ K:LYS278 3.2 17.2 1.0
NZ J:LYS278 3.2 13.7 1.0
CG K:GLU304 3.6 14.1 1.0
CG L:GLU304 3.7 20.3 1.0
CB L:GLU304 3.7 18.0 1.0
CG J:GLU304 3.7 17.6 1.0
CD L:LYS278 3.7 17.9 1.0
CB K:GLU304 3.7 19.0 1.0
CB J:GLU304 3.7 20.7 1.0
CE L:LYS278 3.7 20.6 1.0
CD J:LYS278 3.8 16.2 1.0
CE K:LYS278 3.9 23.4 1.0
CD K:LYS278 3.9 19.7 1.0
CE J:LYS278 4.0 19.9 1.0
O J:HOH445 4.7 12.8 1.0
O L:HOH442 4.7 11.5 1.0
O K:HOH452 4.9 14.8 1.0
O L:HOH486 4.9 22.6 1.0
O J:HOH555 4.9 26.1 1.0
O K:HOH483 4.9 21.1 1.0
CG L:LYS278 5.0 19.7 1.0
CA K:GLU304 5.0 17.9 1.0
CA L:GLU304 5.0 18.0 1.0
CD K:GLU304 5.0 26.8 1.0

Chlorine binding site 8 out of 8 in 2pnk

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Chlorine binding site 8 out of 8 in the Crystal Structure of An Uronate Isomerase (BH0493) From Bacillus Halodurans C-125 at 2.00 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 An Uronate Isomerase (BH0493) From Bacillus Halodurans C-125 at 2.00 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
L:Cl428

b:56.8
occ:1.00
 O L:HOH463 3.2 15.6 1.0
ND2 L:ASN235 3.4 22.4 1.0
N L:GLU179 3.6 25.9 1.0
O L:HOH556 3.7 29.2 1.0
CB L:GLU179 3.8 29.6 1.0
N L:TYR178 3.8 21.7 1.0
O L:HOH505 4.0 24.5 1.0
C L:GLU177 4.3 21.8 1.0
O L:HOH766 4.3 51.8 1.0
CG L:ASN235 4.3 24.5 1.0
CA L:GLU179 4.3 27.4 1.0
CB L:ASN235 4.4 22.8 1.0
CB L:TYR178 4.4 23.2 1.0
O L:ASN176 4.4 23.4 1.0
O L:HOH506 4.4 23.6 1.0
CA L:TYR178 4.4 22.5 1.0
C L:TYR178 4.5 23.7 1.0
CA L:GLU177 4.5 23.6 1.0
OE1 L:GLU179 4.6 43.8 1.0
CG L:GLU179 4.7 39.8 1.0
C L:ASN176 4.9 23.2 1.0
N L:GLU177 5.0 22.9 1.0

Reference:

Joint Center For Structural Genomics (Jcsg), Joint Center For Structural Genomics (Jcsg). N/A N/A.
Page generated: Sat Jul 20 10:14:06 2024

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