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Calcium in PDB 6bzn: Crystal Structure of Halogenase Pltm

Enzymatic activity of Crystal Structure of Halogenase Pltm

All present enzymatic activity of Crystal Structure of Halogenase Pltm:
3.8.1.1;

Protein crystallography data

The structure of Crystal Structure of Halogenase Pltm, PDB code: 6bzn was solved by A.H.Pang, S.Garneau-Tsodikova, O.V.Tsodikov, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 39.88 / 1.80
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 64.235, 157.107, 214.015, 90.00, 90.00, 90.00
R / Rfree (%) 16.1 / 18.9

Calcium Binding Sites:

The binding sites of Calcium atom in the Crystal Structure of Halogenase Pltm (pdb code 6bzn). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 7 binding sites of Calcium where determined in the Crystal Structure of Halogenase Pltm, PDB code: 6bzn:
Jump to Calcium binding site number: 1; 2; 3; 4; 5; 6; 7;

Calcium binding site 1 out of 7 in 6bzn

Go back to Calcium Binding Sites List in 6bzn
Calcium binding site 1 out of 7 in the Crystal Structure of Halogenase Pltm


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of Halogenase Pltm within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca601

b:19.8
occ:1.00
 OD2 A:ASP5 2.3 17.2 1.0
O A:HOH1020 2.3 25.0 1.0
OD1 A:ASP5 2.6 17.9 1.0
CG A:ASP5 2.8 17.0 1.0
O A:HOH732 4.2 44.2 1.0
CB A:ASP5 4.3 16.0 1.0
OD1 A:ASN28 4.3 18.4 0.5
N A:ASN28 4.6 16.0 0.5
N A:ASN28 4.6 15.9 0.5
CB A:ASN28 4.7 16.4 0.5
CB A:ASN28 4.8 16.7 0.5
O A:GLY26 4.8 19.1 1.0
O A:HOH740 4.9 33.8 1.0
N A:ASP5 4.9 15.9 1.0
CG A:ASN28 4.9 17.5 0.5
CA A:ASP5 4.9 15.7 1.0
O A:HOH1093 5.0 51.3 1.0

Calcium binding site 2 out of 7 in 6bzn

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Calcium binding site 2 out of 7 in the Crystal Structure of Halogenase Pltm


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure of Halogenase Pltm within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca602

b:36.9
occ:1.00
 O A:HOH982 3.2 13.2 1.0
O A:HOH929 3.2 16.6 1.0
CA A:GLY43 3.7 14.3 1.0
CZ A:PHE325 3.8 14.3 1.0
O A:HOH1128 3.9 33.0 1.0
CA A:PRO328 3.9 12.2 1.0
O A:HOH986 3.9 39.1 1.0
C2 A:GOL604 3.9 18.2 1.0
O2 A:GOL604 4.0 17.9 1.0
CE1 A:PHE325 4.0 14.4 1.0
O A:HOH1171 4.1 30.7 1.0
CB A:PRO328 4.2 13.0 1.0
N A:GLY43 4.4 14.9 1.0
O A:PRO328 4.6 11.6 1.0
N A:PRO328 4.7 12.5 1.0
OG A:SER331 4.7 13.1 1.0
C A:PRO328 4.8 12.1 1.0
C1 A:GOL604 4.8 18.3 1.0
O A:ASP327 4.8 12.6 1.0
O1 A:GOL604 4.8 16.3 1.0
C A:GLY43 4.9 13.6 1.0
CA A:SER331 4.9 12.1 1.0
O A:HOH1061 4.9 33.3 1.0

Calcium binding site 3 out of 7 in 6bzn

Go back to Calcium Binding Sites List in 6bzn
Calcium binding site 3 out of 7 in the Crystal Structure of Halogenase Pltm


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Crystal Structure of Halogenase Pltm within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca601

b:25.1
occ:1.00
 O B:HOH1042 2.3 35.4 1.0
OD2 B:ASP5 2.3 22.5 1.0
OD1 B:ASP5 2.6 22.7 1.0
CG B:ASP5 2.8 21.9 1.0
OD1 B:ASN28 4.2 23.7 0.5
CB B:ASP5 4.3 20.3 1.0
N B:ASN28 4.5 18.0 0.5
N B:ASN28 4.5 18.6 0.5
CB B:ASN28 4.6 18.6 0.5
O B:HOH705 4.8 33.0 1.0
O B:GLY26 4.8 20.3 1.0
O B:HOH1057 4.9 39.7 1.0
CB B:ASN28 4.9 20.2 0.5
CG B:ASN28 4.9 21.5 0.5
N B:ASP5 4.9 20.2 1.0

Calcium binding site 4 out of 7 in 6bzn

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Calcium binding site 4 out of 7 in the Crystal Structure of Halogenase Pltm


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Crystal Structure of Halogenase Pltm within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Ca601

b:18.5
occ:1.00
 OD1 C:ASN98 2.3 17.4 1.0
O C:HOH1006 2.3 19.9 1.0
CG C:ASN98 3.4 16.7 1.0
ND2 C:ASN98 3.8 17.4 1.0
OE2 C:GLU97 4.2 33.8 1.0
O C:HOH734 4.3 15.7 1.0
O C:HOH1169 4.3 32.1 1.0
O C:HOH869 4.3 46.1 1.0
CG C:GLU97 4.5 28.1 1.0
CB C:ASN98 4.7 16.5 1.0
CD C:GLU97 4.7 31.8 1.0

Calcium binding site 5 out of 7 in 6bzn

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Calcium binding site 5 out of 7 in the Crystal Structure of Halogenase Pltm


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 of Crystal Structure of Halogenase Pltm within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Ca602

b:34.9
occ:1.00
 O C:HOH897 3.1 14.9 1.0
O C:HOH941 3.2 15.1 1.0
O C:HOH1190 3.2 39.2 1.0
CA C:GLY43 3.8 14.7 1.0
CZ C:PHE325 3.8 12.9 1.0
O C:HOH926 3.8 40.0 1.0
CA C:PRO328 3.9 11.1 1.0
CE1 C:PHE325 3.9 13.5 1.0
O2 C:GOL604 4.0 15.4 1.0
C2 C:GOL604 4.0 15.8 1.0
O C:HOH1218 4.2 33.1 1.0
N C:GLY43 4.3 15.4 1.0
CB C:PRO328 4.4 11.1 1.0
OG C:SER331 4.6 12.4 1.0
O C:PRO328 4.7 10.4 1.0
N C:PRO328 4.7 10.9 1.0
O C:ASP327 4.8 10.2 1.0
C C:PRO328 4.8 10.8 1.0
CA C:SER331 4.9 10.8 1.0
C C:GLY43 4.9 13.3 1.0
O1 C:GOL604 4.9 14.9 1.0
C1 C:GOL604 5.0 16.1 1.0

Calcium binding site 6 out of 7 in 6bzn

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Calcium binding site 6 out of 7 in the Crystal Structure of Halogenase Pltm


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 6 of Crystal Structure of Halogenase Pltm within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Ca601

b:18.9
occ:1.00
 OD1 D:ASN98 2.3 17.3 1.0
O D:HOH788 2.3 20.9 1.0
O D:HOH776 2.3 20.4 1.0
O D:HOH1102 2.3 22.1 1.0
CG D:ASN98 3.3 16.0 1.0
ND2 D:ASN98 3.7 17.2 1.0
O D:HOH899 4.1 49.5 1.0
O D:HOH767 4.3 18.5 1.0
O D:HOH1160 4.3 34.3 1.0
OE2 D:GLU97 4.4 33.0 1.0
CB D:ASN98 4.7 16.4 1.0
CG D:GLU97 4.7 27.5 1.0

Calcium binding site 7 out of 7 in 6bzn

Go back to Calcium Binding Sites List in 6bzn
Calcium binding site 7 out of 7 in the Crystal Structure of Halogenase Pltm


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 7 of Crystal Structure of Halogenase Pltm within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Ca602

b:36.7
occ:1.00
 O D:HOH983 3.1 14.0 1.0
O D:HOH963 3.1 15.5 1.0
O D:HOH1170 3.2 36.1 1.0
CA D:GLY43 3.8 14.3 1.0
O2 D:GOL603 3.9 17.1 1.0
CA D:PRO328 3.9 13.3 1.0
O D:HOH966 3.9 40.2 1.0
C2 D:GOL603 3.9 18.1 1.0
CZ D:PHE325 3.9 17.3 1.0
CE1 D:PHE325 4.1 17.8 1.0
CB D:PRO328 4.2 13.7 1.0
N D:GLY43 4.4 15.3 1.0
O D:HOH1184 4.5 34.8 1.0
OG D:SER331 4.5 14.5 1.0
O D:PRO328 4.6 12.3 1.0
N D:PRO328 4.7 13.8 1.0
C D:PRO328 4.7 12.8 1.0
O D:ASP327 4.8 14.5 1.0
CA D:SER331 4.8 12.7 1.0
O1 D:GOL603 4.8 16.7 1.0
O3 D:GOL603 4.9 17.2 1.0
C3 D:GOL603 4.9 17.9 1.0
C1 D:GOL603 4.9 18.2 1.0
C D:GLY43 4.9 13.7 1.0

Reference:

S.Mori, A.H.Pang, N.Thamban Chandrika, S.Garneau-Tsodikova, O.V.Tsodikov. Unusual Substrate and Halide Versatility of Phenolic Halogenase Pltm. Nat Commun V. 10 1255 2019.
ISSN: ESSN 2041-1723
PubMed: 30890712
DOI: 10.1038/S41467-019-09215-9
Page generated: Wed Jul 9 13:00:29 2025

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