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Mercury in PDB 1crm: Structure and Function of Carbonic Anhydrases

Enzymatic activity of Structure and Function of Carbonic Anhydrases

All present enzymatic activity of Structure and Function of Carbonic Anhydrases:
4.2.1.1;

Protein crystallography data

The structure of Structure and Function of Carbonic Anhydrases, PDB code: 1crm was solved by V.S.Yadava, K.K.Kannan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 8.00 / 2.00
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 81.850, 75.310, 37.759, 90.00, 90.00, 90.00
R / Rfree (%) n/a / n/a

Other elements in 1crm:

The structure of Structure and Function of Carbonic Anhydrases also contains other interesting chemical elements:

Chlorine (Cl) 2 atoms

Mercury Binding Sites:

The binding sites of Mercury atom in the Structure and Function of Carbonic Anhydrases (pdb code 1crm). This binding sites where shown within 5.0 Angstroms radius around Mercury atom.
In total 4 binding sites of Mercury where determined in the Structure and Function of Carbonic Anhydrases, PDB code: 1crm:
Jump to Mercury binding site number: 1; 2; 3; 4;

Mercury binding site 1 out of 4 in 1crm

Go back to Mercury Binding Sites List in 1crm
Mercury binding site 1 out of 4 in the Structure and Function of Carbonic Anhydrases


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 1 of Structure and Function of Carbonic Anhydrases within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Hg261

b:11.0
occ:1.00
ND1 A:HIS119 2.2 2.8 1.0
NE2 A:HIS94 2.3 7.6 1.0
NE2 A:HIS96 2.4 7.0 1.0
CL A:CL263 2.5 17.6 1.0
CE1 A:HIS119 3.0 2.4 1.0
CD2 A:HIS94 3.2 7.3 1.0
CE1 A:HIS96 3.3 6.6 1.0
CE1 A:HIS94 3.3 6.8 1.0
CD2 A:HIS96 3.4 6.2 1.0
CG A:HIS119 3.4 2.8 1.0
OG1 A:THR199 3.6 6.3 1.0
CB A:HIS119 3.9 2.9 1.0
NE2 A:HIS119 4.1 2.9 1.0
OE1 A:GLU106 4.2 7.9 1.0
CD2 A:HIS119 4.4 2.6 1.0
ND1 A:HIS94 4.4 7.2 1.0
CG A:HIS94 4.4 7.0 1.0
ND1 A:HIS96 4.5 6.6 1.0
CG A:HIS96 4.5 5.8 1.0
CD2 A:HIS200 4.6 12.7 1.0
O A:HOH277 4.8 8.2 1.0
NE2 A:HIS200 4.8 13.0 1.0
CB A:THR199 4.9 7.3 1.0
O A:HOH268 4.9 6.4 1.0
CH2 A:TRP209 5.0 4.6 1.0

Mercury binding site 2 out of 4 in 1crm

Go back to Mercury Binding Sites List in 1crm
Mercury binding site 2 out of 4 in the Structure and Function of Carbonic Anhydrases


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 2 of Structure and Function of Carbonic Anhydrases within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Hg262

b:23.0
occ:0.83
HG A:HG264 1.6 25.2 0.6
SG A:CYS212 2.4 16.5 1.0
CL A:CL265 2.4 18.5 0.9
S A:H2S266 3.2 28.7 0.3
CB A:CYS212 3.4 13.1 1.0
O A:HOH428 3.5 21.7 1.0
CA A:CYS212 3.7 11.9 1.0
O A:SER188 4.2 19.5 1.0
N A:CYS212 4.3 10.9 1.0
O A:ASP190 4.4 13.9 1.0
CG2 A:ILE144 4.5 5.7 1.0
CG2 A:ILE210 4.7 8.0 1.0
CB A:PHE191 4.8 10.7 1.0
CG A:PRO186 4.9 15.7 1.0
CG1 A:ILE47 5.0 23.3 1.0
O A:HOH478 5.0 46.8 0.9

Mercury binding site 3 out of 4 in 1crm

Go back to Mercury Binding Sites List in 1crm
Mercury binding site 3 out of 4 in the Structure and Function of Carbonic Anhydrases


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 3 of Structure and Function of Carbonic Anhydrases within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Hg264

b:25.2
occ:0.59
HG A:HG262 1.6 23.0 0.8
S A:H2S266 2.4 28.7 0.3
CL A:CL265 2.4 18.5 0.9
O A:SER188 3.1 19.5 1.0
SG A:CYS212 3.2 16.5 1.0
O A:ASP190 3.2 13.9 1.0
CB A:CYS212 3.5 13.1 1.0
O A:HOH428 3.5 21.7 1.0
CA A:CYS212 3.6 11.9 1.0
C A:SER188 3.9 20.0 1.0
C A:ASP190 4.1 14.3 1.0
N A:ASP190 4.2 16.8 1.0
C A:LEU189 4.2 18.6 1.0
CA A:LEU189 4.3 19.6 1.0
N A:LYS213 4.4 11.8 1.0
N A:LEU189 4.5 20.0 1.0
C A:CYS212 4.6 12.0 1.0
CG A:PRO186 4.6 15.7 1.0
CB A:PHE191 4.6 10.7 1.0
N A:CYS212 4.7 10.9 1.0
O A:LEU189 4.7 18.1 1.0
OG A:SER188 4.7 21.9 1.0
CA A:ASP190 4.8 16.1 1.0
CB A:SER188 4.8 21.2 1.0
CA A:SER188 4.9 20.6 1.0
N A:PHE191 4.9 12.7 1.0

Mercury binding site 4 out of 4 in 1crm

Go back to Mercury Binding Sites List in 1crm
Mercury binding site 4 out of 4 in the Structure and Function of Carbonic Anhydrases


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 4 of Structure and Function of Carbonic Anhydrases within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Hg267

b:38.5
occ:0.25
OG A:SER99 3.4 13.3 1.0
N A:SER99 3.6 9.3 1.0
O A:HOH415 3.7 13.9 1.0
ND1 A:HIS243 3.8 15.3 1.0
ND2 A:ASN245 3.9 7.7 1.0
CB A:HIS243 4.0 12.7 1.0
O A:HOH460 4.0 23.7 0.8
CG A:HIS243 4.1 13.8 1.0
CA A:GLY98 4.2 8.1 1.0
CB A:SER99 4.2 11.5 1.0
C A:GLY98 4.4 8.4 1.0
CA A:SER99 4.6 10.8 1.0
CE1 A:HIS243 4.7 15.1 1.0
O A:HIS103 4.8 12.0 1.0
CG A:ASN245 4.9 9.1 1.0
OD1 A:ASN245 4.9 10.8 1.0

Reference:

K.K.Kannan, V.S.Yadava, K.K.Kannan. N/A N/A.
Page generated: Sun Dec 13 19:02:15 2020

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