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Mercury in PDB 2tpi: On the Disordered Activation Domain in Trypsinogen. Chemical Labelling and Low-Temperature Crystallography

Enzymatic activity of On the Disordered Activation Domain in Trypsinogen. Chemical Labelling and Low-Temperature Crystallography

All present enzymatic activity of On the Disordered Activation Domain in Trypsinogen. Chemical Labelling and Low-Temperature Crystallography:
3.4.21.4;

Protein crystallography data

The structure of On the Disordered Activation Domain in Trypsinogen. Chemical Labelling and Low-Temperature Crystallography, PDB code: 2tpi was solved by J.Walter, W.Steigemann, T.P.Singh, H.Bartunik, W.Bode, R.Huber, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 6.50 / 2.10
Space group I 2 2 2
Cell size a, b, c (Å), α, β, γ (°) 75.670, 84.160, 122.890, 90.00, 90.00, 90.00
R / Rfree (%) 20 / n/a

Mercury Binding Sites:

The binding sites of Mercury atom in the On the Disordered Activation Domain in Trypsinogen. Chemical Labelling and Low-Temperature Crystallography (pdb code 2tpi). This binding sites where shown within 5.0 Angstroms radius around Mercury atom.
In total 3 binding sites of Mercury where determined in the On the Disordered Activation Domain in Trypsinogen. Chemical Labelling and Low-Temperature Crystallography, PDB code: 2tpi:
Jump to Mercury binding site number: 1; 2; 3;

Mercury binding site 1 out of 3 in 2tpi

Go back to Mercury Binding Sites List in 2tpi
Mercury binding site 1 out of 3 in the On the Disordered Activation Domain in Trypsinogen. Chemical Labelling and Low-Temperature Crystallography


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 1 of On the Disordered Activation Domain in Trypsinogen. Chemical Labelling and Low-Temperature Crystallography within 5.0Å range:
probe atom residue distance (Å) B Occ
Z:Hg1

b:85.2
occ:0.33
HG Z:HG1 0.0 85.2 0.3
SG Z:CYS220 1.6 37.8 0.3
HG Z:HG1 1.8 49.2 0.3
SG Z:CYS220 2.3 60.0 0.3
SG Z:CYS191 2.3 60.0 0.3
SG Z:CYS191 2.5 37.8 0.3
O Z:HOH596 2.6 25.0 1.0
CB Z:CYS220 2.9 45.0 0.3
HG Z:HG1 3.1 83.1 0.3
CB Z:CYS220 3.2 45.0 0.3
CB Z:CYS220 3.2 27.8 0.3
CB Z:CYS191 3.4 45.0 0.3
O Z:SER146 3.5 27.0 1.0
O Z:LYS145 3.6 22.0 1.0
O Z:HOH498 3.6 23.5 1.0
SG Z:CYS220 3.6 60.0 0.3
CB Z:CYS191 3.8 27.8 0.3
CB Z:CYS191 4.0 45.0 0.3
OE1 Z:GLN192 4.0 18.4 1.0
C Z:SER146 4.1 27.0 1.0
O Z:HOH566 4.2 31.8 1.0
CA Z:CYS220 4.2 22.8 1.0
CA Z:CYS191 4.3 22.8 1.0
ND2 Z:ASN143 4.3 18.4 1.0
N Z:CYS220 4.3 22.8 1.0
O Z:HOH502 4.3 29.4 1.0
CA Z:SER146 4.3 27.0 1.0
SG Z:CYS191 4.4 60.0 0.3
O Z:CYS220 4.5 22.8 1.0
C Z:LYS145 4.6 22.0 1.0
C Z:CYS220 4.6 22.8 1.0
CB Z:ASN143 4.7 16.9 1.0
CG Z:ASN143 4.7 18.4 1.0
N Z:GLN192 4.8 17.1 1.0
CD Z:GLN192 4.9 18.4 1.0
N Z:SER146 4.9 27.0 1.0
C Z:GLY219 4.9 14.4 1.0
CG1 Z:VAL1017 5.0 15.1 1.0

Mercury binding site 2 out of 3 in 2tpi

Go back to Mercury Binding Sites List in 2tpi
Mercury binding site 2 out of 3 in the On the Disordered Activation Domain in Trypsinogen. Chemical Labelling and Low-Temperature Crystallography


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 2 of On the Disordered Activation Domain in Trypsinogen. Chemical Labelling and Low-Temperature Crystallography within 5.0Å range:
probe atom residue distance (Å) B Occ
Z:Hg1

b:49.2
occ:0.33
HG Z:HG1 0.0 49.2 0.3
HG Z:HG1 1.7 83.1 0.3
HG Z:HG1 1.8 85.2 0.3
SG Z:CYS220 2.3 37.8 0.3
SG Z:CYS191 2.4 37.8 0.3
SG Z:CYS220 2.7 60.0 0.3
CB Z:CYS220 2.7 45.0 0.3
SG Z:CYS191 2.9 60.0 0.3
CB Z:CYS220 3.1 45.0 0.3
CB Z:CYS220 3.2 27.8 0.3
O Z:LYS145 3.2 22.0 1.0
SG Z:CYS220 3.2 60.0 0.3
CG1 Z:VAL1017 3.3 15.1 1.0
CB Z:CYS191 3.3 45.0 0.3
CA Z:SER146 3.3 27.0 1.0
CB Z:CYS191 3.5 27.8 0.3
O Z:SER146 3.5 27.0 1.0
O Z:HOH596 3.6 25.0 1.0
SG Z:CYS191 3.7 60.0 0.3
C Z:SER146 3.8 27.0 1.0
C Z:LYS145 3.8 22.0 1.0
O Z:CYS220 3.8 22.8 1.0
N Z:SER146 3.8 27.0 1.0
C Z:CYS220 3.9 22.8 1.0
CA Z:CYS220 4.0 22.8 1.0
CB Z:CYS191 4.0 45.0 0.3
CB Z:VAL1017 4.3 20.0 1.0
CA Z:CYS191 4.4 22.8 1.0
CB Z:SER146 4.5 27.0 1.0
N Z:CYS220 4.6 22.8 1.0
N Z:ALA221A 4.7 17.7 1.0
CB Z:ALA221A 4.7 17.7 1.0
OG Z:SER146 4.8 0.0 0.0
O Z:HOH566 4.8 31.8 1.0
O Z:ASN143 4.8 16.9 1.0
N Z:SER147 4.9 29.4 1.0
CA Z:LYS145 5.0 22.0 1.0
CG2 Z:VAL1017 5.0 15.1 1.0
O Z:SER190 5.0 19.5 1.0

Mercury binding site 3 out of 3 in 2tpi

Go back to Mercury Binding Sites List in 2tpi
Mercury binding site 3 out of 3 in the On the Disordered Activation Domain in Trypsinogen. Chemical Labelling and Low-Temperature Crystallography


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 3 of On the Disordered Activation Domain in Trypsinogen. Chemical Labelling and Low-Temperature Crystallography within 5.0Å range:
probe atom residue distance (Å) B Occ
Z:Hg1

b:83.1
occ:0.33
HG Z:HG1 0.0 83.1 0.3
HG Z:HG1 1.7 49.2 0.3
CG1 Z:VAL1017 2.0 15.1 1.0
SG Z:CYS191 2.1 37.8 0.3
SG Z:CYS191 2.3 60.0 0.3
SG Z:CYS220 2.3 60.0 0.3
CB Z:CYS191 2.5 27.8 0.3
CB Z:CYS191 2.5 45.0 0.3
SG Z:CYS191 3.0 60.0 0.3
HG Z:HG1 3.1 85.2 0.3
CB Z:VAL1017 3.2 20.0 1.0
CB Z:CYS191 3.2 45.0 0.3
CB Z:CYS220 3.4 45.0 0.3
SG Z:CYS220 3.5 37.8 0.3
O Z:ASN143 3.6 16.9 1.0
CB Z:CYS220 3.7 45.0 0.3
CA Z:CYS191 3.7 22.8 1.0
CB Z:CYS220 3.7 27.8 0.3
N Z:VAL1017 3.9 20.0 1.0
O Z:LYS145 4.0 22.0 1.0
CA Z:VAL1017 4.1 20.0 1.0
N Z:CYS191 4.1 22.8 1.0
O Z:SER190 4.2 19.5 1.0
SG Z:CYS220 4.2 60.0 0.3
CG2 Z:VAL1017 4.3 15.1 1.0
C Z:LYS145 4.3 22.0 1.0
CA Z:SER146 4.3 27.0 1.0
O Z:ASP189 4.3 20.3 1.0
C Z:SER190 4.3 19.5 1.0
C Z:ASN143 4.5 16.9 1.0
N Z:SER146 4.5 27.0 1.0
C Z:CYS220 4.6 22.8 1.0
C Z:ILE1016 4.7 20.6 1.0
CA Z:CYS220 4.7 22.8 1.0
CB Z:ALA221A 4.8 17.7 1.0
N Z:LYS145 4.8 22.0 1.0
C Z:ASP189 4.8 20.3 1.0
CB Z:ASN143 4.9 16.9 1.0
O Z:CYS220 4.9 22.8 1.0
CB Z:ASP189 5.0 20.3 1.0
O Z:HOH596 5.0 25.0 1.0
C Z:THR144 5.0 20.8 1.0

Reference:

J.Walter, W.Steigemann, T.P.Singh, H.Bartunik, W.Bode, R.Huber. On the Disordered Activation Domain in Trypsinogen. Chemical Labelling and Low-Temperature Crystallography Acta Crystallogr.,Sect.B V. 38 1462 1982.
ISSN: ISSN 0108-7681
Page generated: Wed Oct 28 18:41:59 2020

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