Atomistry » Mercury » PDB 3wee-4ia4 » 4awb
Atomistry »
  Mercury »
    PDB 3wee-4ia4 »
      4awb »

Mercury in PDB 4awb: Crystal Structure of Active Legumain in Complex with Aan-Cmk

Enzymatic activity of Crystal Structure of Active Legumain in Complex with Aan-Cmk

All present enzymatic activity of Crystal Structure of Active Legumain in Complex with Aan-Cmk:
3.4.22.34;

Protein crystallography data

The structure of Crystal Structure of Active Legumain in Complex with Aan-Cmk, PDB code: 4awb was solved by E.Dall, H.Brandstetter, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 63.91 / 2.70
Space group P 41
Cell size a, b, c (Å), α, β, γ (°) 63.900, 63.900, 144.390, 90.00, 90.00, 90.00
R / Rfree (%) 22.933 / 25.506

Mercury Binding Sites:

The binding sites of Mercury atom in the Crystal Structure of Active Legumain in Complex with Aan-Cmk (pdb code 4awb). This binding sites where shown within 5.0 Angstroms radius around Mercury atom.
In total 4 binding sites of Mercury where determined in the Crystal Structure of Active Legumain in Complex with Aan-Cmk, PDB code: 4awb:
Jump to Mercury binding site number: 1; 2; 3; 4;

Mercury binding site 1 out of 4 in 4awb

Go back to Mercury Binding Sites List in 4awb
Mercury binding site 1 out of 4 in the Crystal Structure of Active Legumain in Complex with Aan-Cmk


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 1 of Crystal Structure of Active Legumain in Complex with Aan-Cmk within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Hg325

b:80.8
occ:1.00
SG A:CYS219 2.1 34.2 1.0
OH A:TYR220 3.1 36.7 1.0
CZ A:TYR220 3.2 37.1 1.0
CG1 A:VAL235 3.3 34.7 1.0
CZ3 A:TRP232 3.3 35.6 1.0
CE2 A:TYR220 3.6 37.0 1.0
CE3 A:TRP232 3.7 35.5 1.0
CB A:CYS219 3.7 35.6 1.0
CH2 A:TRP232 3.7 35.6 1.0
CE1 A:TYR220 3.8 37.0 1.0
CB A:VAL235 4.1 34.2 1.0
CD2 A:TYR220 4.4 37.0 1.0
CD2 A:TRP232 4.4 35.4 1.0
CZ2 A:TRP232 4.5 35.5 1.0
CD1 A:TYR220 4.5 37.1 1.0
OD1 A:ASN236 4.7 35.3 1.0
CG2 A:VAL235 4.7 34.1 1.0
CE2 A:TRP232 4.7 35.5 1.0
CG A:TYR220 4.8 37.1 1.0
CA A:CYS219 4.9 36.4 1.0
OE1 A:GLU239 5.0 34.1 1.0

Mercury binding site 2 out of 4 in 4awb

Go back to Mercury Binding Sites List in 4awb
Mercury binding site 2 out of 4 in the Crystal Structure of Active Legumain in Complex with Aan-Cmk


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 2 of Crystal Structure of Active Legumain in Complex with Aan-Cmk within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Hg326

b:92.6
occ:1.00
NE2 A:HIS162 2.4 42.9 1.0
CD2 A:HIS162 3.2 42.5 1.0
O B:PRO157 3.2 28.4 1.0
OD1 B:ASN38 3.4 36.0 1.0
CE1 A:HIS162 3.4 42.4 1.0
CD1 A:ILE153 3.8 33.6 1.0
C B:PRO157 4.1 28.3 1.0
CG1 A:ILE153 4.2 33.6 1.0
CG A:HIS162 4.4 41.9 1.0
O A:HOH2028 4.4 35.7 1.0
ND1 A:HIS162 4.4 42.1 1.0
CA B:PRO157 4.5 27.8 1.0
CG B:ASN38 4.5 36.0 1.0
O B:PHE156 4.5 26.9 1.0
OD2 A:ASP160 4.7 41.4 1.0
ND2 B:ASN38 4.8 36.1 1.0

Mercury binding site 3 out of 4 in 4awb

Go back to Mercury Binding Sites List in 4awb
Mercury binding site 3 out of 4 in the Crystal Structure of Active Legumain in Complex with Aan-Cmk


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 3 of Crystal Structure of Active Legumain in Complex with Aan-Cmk within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Hg325

b:98.1
occ:1.00
SG B:CYS219 2.2 35.9 1.0
CZ3 B:TRP232 3.3 46.2 1.0
OH B:TYR220 3.5 40.0 1.0
CZ B:TYR220 3.6 40.0 1.0
CE3 B:TRP232 3.6 45.7 1.0
CG1 B:VAL235 3.9 41.6 1.0
CH2 B:TRP232 3.9 45.9 1.0
CE2 B:TYR220 3.9 40.0 1.0
CB B:CYS219 4.0 38.6 1.0
CE1 B:TYR220 4.0 40.1 1.0
CD2 B:TRP232 4.4 45.5 1.0
CB B:VAL235 4.6 41.8 1.0
CD2 B:TYR220 4.6 40.1 1.0
CD1 B:TYR220 4.7 40.1 1.0
CZ2 B:TRP232 4.7 45.8 1.0
CE2 B:TRP232 4.9 45.6 1.0
CG B:TYR220 5.0 40.2 1.0

Mercury binding site 4 out of 4 in 4awb

Go back to Mercury Binding Sites List in 4awb
Mercury binding site 4 out of 4 in the Crystal Structure of Active Legumain in Complex with Aan-Cmk


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 4 of Crystal Structure of Active Legumain in Complex with Aan-Cmk within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Hg326

b:0.2
occ:1.00
NE2 B:HIS162 2.4 33.4 1.0
CE1 B:HIS162 3.3 33.3 1.0
CD2 B:HIS162 3.5 32.7 1.0
O A:PRO157 3.7 38.3 1.0
O A:PHE156 3.8 35.1 1.0
O A:HOH2026 3.9 38.3 1.0
CD1 B:ILE153 4.0 26.6 1.0
CA A:PRO157 4.1 37.1 1.0
C A:PRO157 4.2 38.2 1.0
OD1 A:ASN38 4.2 31.2 1.0
CG1 A:VAL155 4.4 32.7 1.0
ND1 B:HIS162 4.5 32.7 1.0
CG1 B:ILE153 4.5 26.6 1.0
CG B:HIS162 4.6 32.5 1.0
C A:PHE156 4.7 35.3 1.0
N A:PRO157 4.9 36.1 1.0
O A:GLY36 4.9 31.0 1.0

Reference:

E.Dall, H.Brandstetter. Mechanistic and Structural Studies on Legumain Explain Its Zymogenicity, Distinct Activation Pathways, and Regulation Proc.Natl.Acad.Sci.Usa V. 110 10940 2013.
ISSN: ISSN 0027-8424
PubMed: 23776206
DOI: 10.1073/PNAS.1300686110
Page generated: Sun Dec 13 19:10:51 2020

Last articles

Zn in 7VD8
Zn in 7V1R
Zn in 7V1Q
Zn in 7VPF
Zn in 7T85
Zn in 7T5F
Zn in 7NF9
Zn in 7M4M
Zn in 7M4O
Zn in 7M4N
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy