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Cobalt in PDB 4keu: Crystal Structure of Ssopox W263M

Enzymatic activity of Crystal Structure of Ssopox W263M

All present enzymatic activity of Crystal Structure of Ssopox W263M:
3.1.8.1;

Protein crystallography data

The structure of Crystal Structure of Ssopox W263M, PDB code: 4keu was solved by G.Gotthard, J.Hiblot, E.Chabriere, M.Elias, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 49.14 / 2.20
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 86.820, 103.880, 151.610, 90.00, 90.00, 90.00
R / Rfree (%) 17 / 21.5

Other elements in 4keu:

The structure of Crystal Structure of Ssopox W263M also contains other interesting chemical elements:

Iron (Fe) 4 atoms

Cobalt Binding Sites:

The binding sites of Cobalt atom in the Crystal Structure of Ssopox W263M (pdb code 4keu). This binding sites where shown within 5.0 Angstroms radius around Cobalt atom.
In total 4 binding sites of Cobalt where determined in the Crystal Structure of Ssopox W263M, PDB code: 4keu:
Jump to Cobalt binding site number: 1; 2; 3; 4;

Cobalt binding site 1 out of 4 in 4keu

Go back to Cobalt Binding Sites List in 4keu
Cobalt binding site 1 out of 4 in the Crystal Structure of Ssopox W263M


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 1 of Crystal Structure of Ssopox W263M within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Co402

b:21.7
occ:1.00
OQ2 A:KCX137 1.9 18.4 1.0
NE2 A:HIS199 1.9 23.5 1.0
ND1 A:HIS170 2.0 19.7 1.0
O A:HOH580 2.0 22.2 1.0
CE1 A:HIS199 2.9 22.9 1.0
CE1 A:HIS170 2.9 22.9 1.0
CD2 A:HIS199 3.0 23.0 1.0
CX A:KCX137 3.0 20.6 1.0
CG A:HIS170 3.0 22.5 1.0
OQ1 A:KCX137 3.4 21.3 1.0
CB A:HIS170 3.4 22.1 1.0
FE A:FE2401 3.4 18.9 1.0
NH2 A:ARG223 3.8 25.2 1.0
CE1 A:HIS22 4.0 20.2 1.0
ND1 A:HIS199 4.0 22.8 1.0
OD2 A:ASP256 4.1 23.6 1.0
NE2 A:HIS170 4.1 25.0 1.0
CG A:HIS199 4.1 22.6 1.0
OH A:TYR97 4.1 34.1 1.0
NE2 A:HIS22 4.1 21.4 1.0
CD2 A:HIS170 4.1 23.6 1.0
CE2 A:TYR97 4.2 24.7 1.0
NZ A:KCX137 4.2 19.9 1.0
CA A:HIS170 4.2 22.4 1.0
CZ A:ARG223 4.5 25.8 1.0
OD1 A:ASP256 4.6 23.0 1.0
CE A:KCX137 4.7 20.6 1.0
CG A:ASP256 4.7 22.3 1.0
CZ A:TYR97 4.7 27.2 1.0
NE A:ARG223 4.7 25.0 1.0

Cobalt binding site 2 out of 4 in 4keu

Go back to Cobalt Binding Sites List in 4keu
Cobalt binding site 2 out of 4 in the Crystal Structure of Ssopox W263M


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 2 of Crystal Structure of Ssopox W263M within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Co403

b:25.0
occ:1.00
OQ1 B:KCX137 1.8 20.7 1.0
NE2 B:HIS199 1.9 24.2 1.0
ND1 B:HIS170 1.9 24.6 1.0
O B:HOH582 2.2 25.7 1.0
CE1 B:HIS199 2.9 23.4 1.0
CE1 B:HIS170 2.9 28.6 1.0
CX B:KCX137 2.9 21.2 1.0
CD2 B:HIS199 3.0 24.3 1.0
CG B:HIS170 3.0 25.8 1.0
OQ2 B:KCX137 3.3 22.1 1.0
FE B:FE2402 3.4 21.6 1.0
CB B:HIS170 3.4 23.1 1.0
NH2 B:ARG223 3.9 29.5 1.0
CE1 B:HIS22 4.0 21.4 1.0
NE2 B:HIS170 4.0 29.3 1.0
ND1 B:HIS199 4.1 22.6 1.0
NZ B:KCX137 4.1 21.8 1.0
NE2 B:HIS22 4.1 23.4 1.0
OD2 B:ASP256 4.1 27.9 1.0
CD2 B:HIS170 4.1 26.5 1.0
CE2 B:TYR97 4.1 25.4 1.0
CG B:HIS199 4.1 22.9 1.0
OH B:TYR97 4.2 31.3 1.0
CA B:HIS170 4.3 24.7 1.0
OD1 B:ASP256 4.5 23.8 1.0
CZ B:ARG223 4.5 26.6 1.0
CE B:KCX137 4.6 20.7 1.0
CG B:ASP256 4.6 26.5 1.0
CZ B:TYR97 4.7 31.6 1.0
NE B:ARG223 4.8 27.8 1.0

Cobalt binding site 3 out of 4 in 4keu

Go back to Cobalt Binding Sites List in 4keu
Cobalt binding site 3 out of 4 in the Crystal Structure of Ssopox W263M


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 3 of Crystal Structure of Ssopox W263M within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Co402

b:30.7
occ:1.00
OQ1 C:KCX137 1.8 28.7 1.0
O C:HOH573 1.9 28.5 1.0
ND1 C:HIS170 1.9 31.3 1.0
NE2 C:HIS199 1.9 33.1 1.0
CE1 C:HIS199 2.8 30.0 1.0
CE1 C:HIS170 2.9 28.4 1.0
CX C:KCX137 3.0 25.5 1.0
CG C:HIS170 3.0 28.8 1.0
CD2 C:HIS199 3.0 28.4 1.0
OQ2 C:KCX137 3.4 24.4 1.0
CB C:HIS170 3.4 25.8 1.0
FE C:FE2401 3.5 22.7 1.0
NH2 C:ARG223 3.6 31.3 1.0
OD2 C:ASP256 3.9 34.2 1.0
ND1 C:HIS199 4.0 29.7 1.0
NE2 C:HIS170 4.0 30.9 1.0
CE1 C:HIS22 4.1 20.0 1.0
CG C:HIS199 4.1 29.6 1.0
CD2 C:HIS170 4.1 28.3 1.0
NZ C:KCX137 4.1 27.2 1.0
CE2 C:TYR97 4.2 25.6 1.0
NE2 C:HIS22 4.2 22.4 1.0
CA C:HIS170 4.2 28.7 1.0
OH C:TYR97 4.3 32.5 1.0
CZ C:ARG223 4.4 33.3 1.0
CG C:ASP256 4.6 31.4 1.0
CE C:KCX137 4.6 29.0 1.0
OD1 C:ASP256 4.6 29.1 1.0
NE C:ARG223 4.7 36.1 1.0
CZ C:TYR97 4.7 28.5 1.0

Cobalt binding site 4 out of 4 in 4keu

Go back to Cobalt Binding Sites List in 4keu
Cobalt binding site 4 out of 4 in the Crystal Structure of Ssopox W263M


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 4 of Crystal Structure of Ssopox W263M within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Co402

b:24.6
occ:1.00
OQ2 D:KCX137 1.8 22.2 1.0
NE2 D:HIS199 1.9 23.2 1.0
ND1 D:HIS170 2.0 24.6 1.0
O D:HOH581 2.0 19.8 1.0
CE1 D:HIS199 2.9 21.9 1.0
CE1 D:HIS170 2.9 24.0 1.0
CX D:KCX137 2.9 24.7 1.0
CG D:HIS170 3.0 23.8 1.0
CD2 D:HIS199 3.0 21.4 1.0
OQ1 D:KCX137 3.3 25.1 1.0
CB D:HIS170 3.5 23.3 1.0
FE D:FE2401 3.5 23.6 1.0
NH2 D:ARG223 3.7 26.5 1.0
CE1 D:HIS22 4.0 22.7 1.0
NE2 D:HIS170 4.0 29.9 1.0
OD2 D:ASP256 4.1 28.3 1.0
ND1 D:HIS199 4.1 23.4 1.0
NZ D:KCX137 4.1 23.9 1.0
NE2 D:HIS22 4.1 24.8 1.0
CD2 D:HIS170 4.1 27.2 1.0
CE2 D:TYR97 4.1 31.4 1.0
CG D:HIS199 4.2 22.2 1.0
CA D:HIS170 4.3 24.3 1.0
OH D:TYR97 4.3 36.4 1.0
CZ D:ARG223 4.4 27.3 1.0
NE D:ARG223 4.6 26.5 1.0
OD1 D:ASP256 4.6 23.7 1.0
CE D:KCX137 4.6 25.6 1.0
CG D:ASP256 4.7 25.6 1.0
CZ D:TYR97 4.7 37.4 1.0

Reference:

J.Hiblot, G.Gotthard, M.Elias, E.Chabriere. Differential Active Site Loop Conformations Mediate Promiscuous Activities in the Lactonase Ssopox. Plos One V. 8 75272 2013.
ISSN: ESSN 1932-6203
PubMed: 24086491
DOI: 10.1371/JOURNAL.PONE.0075272
Page generated: Sun Dec 13 10:45:02 2020

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