Atomistry » Chlorine » PDB 2pgc-2px2 » 2pnk
Atomistry »
  Chlorine »
    PDB 2pgc-2px2 »
      2pnk »

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

Go back to Chlorine Binding Sites List in 2pnk
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

Go back to Chlorine Binding Sites List in 2pnk
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

Go back to Chlorine Binding Sites List in 2pnk
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

Go back to Chlorine Binding Sites List in 2pnk
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

Go back to Chlorine Binding Sites List in 2pnk
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

Go back to Chlorine Binding Sites List in 2pnk
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

Go back to Chlorine Binding Sites List in 2pnk
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

Go back to Chlorine Binding Sites List in 2pnk
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

Last articles

Ca in 5MFA
Ca in 5MF4
Ca in 5MEY
Ca in 5MB1
Ca in 5MAZ
Ca in 5MER
Ca in 5MAY
Ca in 5MEH
Ca in 5MC9
Ca in 5MA7
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy