Atomistry » Chlorine » PDB 3hcx-3hl6 » 3hk7
Atomistry »
  Chlorine »
    PDB 3hcx-3hl6 »
      3hk7 »

Chlorine in PDB 3hk7: Crystal Structure of Uronate Isomerase From Bacillus Halodurans Complexed with Zinc and D-Arabinarate, Monoclinic Crystal Form

Protein crystallography data

The structure of Crystal Structure of Uronate Isomerase From Bacillus Halodurans Complexed with Zinc and D-Arabinarate, Monoclinic Crystal Form, PDB code: 3hk7 was solved by A.A.Fedorov, E.V.Fedorov, T.T.Nguyen, F.M.Raushel, S.C.Almo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 24.99 / 2.20
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 274.823, 156.516, 185.959, 90.00, 116.20, 90.00
R / Rfree (%) 21.3 / 24.5

Other elements in 3hk7:

The structure of Crystal Structure of Uronate Isomerase From Bacillus Halodurans Complexed with Zinc and D-Arabinarate, Monoclinic Crystal Form also contains other interesting chemical elements:

Zinc (Zn) 12 atoms
Sodium (Na) 4 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Uronate Isomerase From Bacillus Halodurans Complexed with Zinc and D-Arabinarate, Monoclinic Crystal Form (pdb code 3hk7). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of Uronate Isomerase From Bacillus Halodurans Complexed with Zinc and D-Arabinarate, Monoclinic Crystal Form, PDB code: 3hk7:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 3hk7

Go back to Chlorine Binding Sites List in 3hk7
Chlorine binding site 1 out of 4 in the Crystal Structure of Uronate Isomerase From Bacillus Halodurans Complexed with Zinc and D-Arabinarate, Monoclinic Crystal Form


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 Uronate Isomerase From Bacillus Halodurans Complexed with Zinc and D-Arabinarate, Monoclinic Crystal Form within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl430

b:21.5
occ:1.00
NZ C:LYS278 3.0 18.9 1.0
NZ B:LYS278 3.2 18.7 1.0
NZ A:LYS278 3.3 19.7 1.0
CG B:GLU304 3.5 23.5 1.0
CG C:GLU304 3.5 17.8 1.0
CG A:GLU304 3.6 17.7 1.0
CD C:LYS278 3.6 20.1 1.0
CB C:GLU304 3.6 17.4 1.0
CD B:LYS278 3.7 21.7 1.0
CB B:GLU304 3.7 20.4 1.0
CB A:GLU304 3.7 19.1 1.0
CD A:LYS278 3.7 20.8 1.0
CE C:LYS278 3.8 21.4 1.0
CE B:LYS278 3.9 22.3 1.0
CE A:LYS278 3.9 19.2 1.0
O B:HOH1524 4.7 29.9 1.0
O B:HOH1461 4.8 32.7 1.0
CD B:GLU304 4.9 25.0 1.0
O A:HOH827 4.9 33.1 1.0
O C:HOH457 4.9 24.4 1.0
O C:HOH1582 4.9 28.0 1.0
CD C:GLU304 4.9 19.4 1.0
CA C:GLU304 4.9 18.0 1.0
O C:HOH521 5.0 20.7 1.0
CD A:GLU304 5.0 21.4 1.0

Chlorine binding site 2 out of 4 in 3hk7

Go back to Chlorine Binding Sites List in 3hk7
Chlorine binding site 2 out of 4 in the Crystal Structure of Uronate Isomerase From Bacillus Halodurans Complexed with Zinc and D-Arabinarate, Monoclinic Crystal Form


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 Uronate Isomerase From Bacillus Halodurans Complexed with Zinc and D-Arabinarate, Monoclinic Crystal Form within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl432

b:13.3
occ:1.00
NZ F:LYS278 3.0 17.0 1.0
NZ E:LYS278 3.1 15.2 1.0
NZ D:LYS278 3.1 14.7 1.0
CG F:GLU304 3.5 16.3 1.0
CG E:GLU304 3.5 18.6 1.0
CG D:GLU304 3.6 15.4 1.0
CB F:GLU304 3.6 16.7 1.0
CD E:LYS278 3.6 17.4 1.0
CB E:GLU304 3.6 14.8 1.0
CD F:LYS278 3.7 17.3 1.0
CD D:LYS278 3.7 17.0 1.0
CB D:GLU304 3.7 13.8 1.0
CE E:LYS278 3.8 16.2 1.0
CE F:LYS278 3.8 19.8 1.0
CE D:LYS278 3.9 16.4 1.0
O F:HOH440 4.8 18.3 1.0
O F:HOH1383 4.8 27.4 1.0
O F:HOH448 4.9 16.5 1.0
CD E:GLU304 4.9 20.7 1.0
CD F:GLU304 4.9 19.1 1.0
CA F:GLU304 4.9 17.4 1.0
O D:HOH994 4.9 31.5 1.0
CA E:GLU304 5.0 16.3 1.0
CA D:GLU304 5.0 14.3 1.0

Chlorine binding site 3 out of 4 in 3hk7

Go back to Chlorine Binding Sites List in 3hk7
Chlorine binding site 3 out of 4 in the Crystal Structure of Uronate Isomerase From Bacillus Halodurans Complexed with Zinc and D-Arabinarate, Monoclinic Crystal Form


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 Uronate Isomerase From Bacillus Halodurans Complexed with Zinc and D-Arabinarate, Monoclinic Crystal Form within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Cl431

b:21.7
occ:1.00
NZ I:LYS278 3.0 15.5 1.0
NZ H:LYS278 3.1 19.0 1.0
NZ G:LYS278 3.2 16.1 1.0
CG G:GLU304 3.6 20.4 1.0
CG H:GLU304 3.6 21.7 1.0
CD I:LYS278 3.6 18.7 1.0
CG I:GLU304 3.6 22.9 1.0
CD H:LYS278 3.7 19.2 1.0
CB G:GLU304 3.7 18.3 1.0
CB I:GLU304 3.7 22.9 1.0
CB H:GLU304 3.8 18.7 1.0
CD G:LYS278 3.8 19.0 1.0
CE I:LYS278 3.8 18.5 1.0
CE H:LYS278 3.8 18.0 1.0
CE G:LYS278 4.0 17.4 1.0
O H:HOH459 4.7 21.2 1.0
O I:HOH442 4.8 20.3 1.0
O G:HOH435 4.9 25.0 1.0
CD G:GLU304 5.0 22.2 1.0
O I:HOH1318 5.0 31.6 1.0
O I:GLU304 5.0 23.1 1.0
CD H:GLU304 5.0 22.3 1.0

Chlorine binding site 4 out of 4 in 3hk7

Go back to Chlorine Binding Sites List in 3hk7
Chlorine binding site 4 out of 4 in the Crystal Structure of Uronate Isomerase From Bacillus Halodurans Complexed with Zinc and D-Arabinarate, Monoclinic Crystal Form


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 Uronate Isomerase From Bacillus Halodurans Complexed with Zinc and D-Arabinarate, Monoclinic Crystal Form within 5.0Å range:
probe atom residue distance (Å) B Occ
J:Cl431

b:14.9
occ:1.00
NZ J:LYS278 3.0 19.1 1.0
NZ K:LYS278 3.0 16.3 1.0
NZ L:LYS278 3.3 14.5 1.0
CG J:GLU304 3.5 19.3 1.0
CG K:GLU304 3.6 15.6 1.0
CB J:GLU304 3.6 15.0 1.0
CG L:GLU304 3.6 18.4 1.0
CD J:LYS278 3.6 18.6 1.0
CD K:LYS278 3.7 17.0 1.0
CB K:GLU304 3.7 12.5 1.0
CB L:GLU304 3.7 18.9 1.0
CE J:LYS278 3.8 21.2 1.0
CE K:LYS278 3.8 16.2 1.0
CD L:LYS278 3.8 18.9 1.0
CE L:LYS278 4.0 16.4 1.0
O K:HOH1404 4.8 23.2 1.0
O J:HOH454 4.8 18.0 1.0
O L:HOH432 4.8 13.2 1.0
CD J:GLU304 4.9 20.9 1.0
CA J:GLU304 4.9 15.8 1.0
O L:HOH1180 5.0 33.4 1.0
O K:HOH452 5.0 20.0 1.0
CA K:GLU304 5.0 16.0 1.0

Reference:

T.T.Nguyen, A.A.Fedorov, L.Williams, E.V.Fedorov, Y.Li, C.Xu, S.C.Almo, F.M.Raushel. The Mechanism of the Reaction Catalyzed By Uronate Isomerase Illustrates How An Isomerase May Have Evolved From A Hydrolase Within the Amidohydrolase Superfamily. Biochemistry V. 48 8879 2009.
ISSN: ISSN 0006-2960
PubMed: 19678710
DOI: 10.1021/BI901046X
Page generated: Sat Dec 12 09:46:01 2020

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy