Atomistry » Calcium » PDB 3dsx-3ead » 3e8l
Atomistry »
  Calcium »
    PDB 3dsx-3ead »
      3e8l »

Calcium in PDB 3e8l: The Crystal Structure of the Double-Headed Arrowhead Protease Inhibitor A in Complex with Two Trypsins

Enzymatic activity of The Crystal Structure of the Double-Headed Arrowhead Protease Inhibitor A in Complex with Two Trypsins

All present enzymatic activity of The Crystal Structure of the Double-Headed Arrowhead Protease Inhibitor A in Complex with Two Trypsins:
3.4.21.4;

Protein crystallography data

The structure of The Crystal Structure of the Double-Headed Arrowhead Protease Inhibitor A in Complex with Two Trypsins, PDB code: 3e8l was solved by R.Bao, C.-H.Jiang, C.W.Chi, S.X.Lin, Y.X.Chen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 30.00 / 2.48
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 76.634, 110.863, 152.991, 90.00, 90.00, 90.00
R / Rfree (%) 19.4 / 24.5

Other elements in 3e8l:

The structure of The Crystal Structure of the Double-Headed Arrowhead Protease Inhibitor A in Complex with Two Trypsins also contains other interesting chemical elements:

Sodium (Na) 3 atoms

Calcium Binding Sites:

The binding sites of Calcium atom in the The Crystal Structure of the Double-Headed Arrowhead Protease Inhibitor A in Complex with Two Trypsins (pdb code 3e8l). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 7 binding sites of Calcium where determined in the The Crystal Structure of the Double-Headed Arrowhead Protease Inhibitor A in Complex with Two Trypsins, PDB code: 3e8l:
Jump to Calcium binding site number: 1; 2; 3; 4; 5; 6; 7;

Calcium binding site 1 out of 7 in 3e8l

Go back to Calcium Binding Sites List in 3e8l
Calcium binding site 1 out of 7 in the The Crystal Structure of the Double-Headed Arrowhead Protease Inhibitor A in Complex with Two Trypsins


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of The Crystal Structure of the Double-Headed Arrowhead Protease Inhibitor A in Complex with Two Trypsins within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca4

b:35.0
occ:0.80
 OH A:TYR20 3.9 37.5 1.0
OG1 A:THR26 4.0 42.0 1.0
O A:CYS22 4.0 38.4 1.0
CE2 A:TYR20 4.3 38.9 1.0
CB A:THR26 4.3 40.4 1.0
CZ A:TYR20 4.6 39.2 1.0
SG A:CYS152 4.8 39.1 1.0
C A:CYS22 4.8 37.4 1.0
CA A:CYS22 4.9 37.1 1.0
O A:THR26 5.0 40.4 1.0

Calcium binding site 2 out of 7 in 3e8l

Go back to Calcium Binding Sites List in 3e8l
Calcium binding site 2 out of 7 in the The Crystal Structure of the Double-Headed Arrowhead Protease Inhibitor A in Complex with Two Trypsins


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of The Crystal Structure of the Double-Headed Arrowhead Protease Inhibitor A in Complex with Two Trypsins within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca5

b:35.0
occ:0.50
 O A:HOH253 3.1 13.7 1.0
O A:CYS40 3.1 34.6 1.0
O A:GLY190 3.4 35.3 1.0
C A:CYS40 3.5 34.8 1.0
CB A:HIS38 3.6 38.2 1.0
N A:CYS40 3.8 34.9 1.0
CB A:TRP136 4.0 37.8 1.0
CD2 A:HIS38 4.0 42.5 1.0
N A:GLY41 4.0 34.8 1.0
CA A:CYS40 4.1 34.8 1.0
C A:HIS38 4.1 37.4 1.0
CG A:HIS38 4.1 41.5 1.0
N A:PHE39 4.1 36.6 1.0
CE3 A:TRP136 4.2 34.8 1.0
CB A:SER32 4.3 37.8 1.0
CA A:HIS38 4.3 38.2 1.0
C A:PHE39 4.4 35.3 1.0
C A:GLY190 4.6 35.3 1.0
O A:HIS38 4.6 37.8 1.0
CA A:GLY41 4.6 34.6 1.0
N A:TRP136 4.7 37.8 1.0
CA A:PHE39 4.7 35.5 1.0
CG A:TRP136 4.8 37.3 1.0
CA A:TRP136 4.8 38.1 1.0
CD2 A:TRP136 4.8 34.6 1.0
CA A:SER32 4.9 37.8 1.0
C A:TRP136 4.9 38.0 1.0

Calcium binding site 3 out of 7 in 3e8l

Go back to Calcium Binding Sites List in 3e8l
Calcium binding site 3 out of 7 in the The Crystal Structure of the Double-Headed Arrowhead Protease Inhibitor A in Complex with Two Trypsins


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of The Crystal Structure of the Double-Headed Arrowhead Protease Inhibitor A in Complex with Two Trypsins within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca8

b:35.0
occ:0.80
 N A:GLY60 3.1 42.4 1.0
CA A:GLY60 4.0 42.5 1.0
C A:SER59 4.0 42.3 1.0
CA A:SER59 4.0 42.7 1.0
O A:ALA82 4.3 40.8 1.0
OG A:SER59 4.3 44.1 1.0
O A:LYS58 4.4 41.6 1.0
N A:ILE61 4.4 42.4 1.0
OG A:SER85 4.7 46.2 1.0
C A:GLY60 4.7 42.7 1.0
CB A:SER59 4.8 42.5 1.0

Calcium binding site 4 out of 7 in 3e8l

Go back to Calcium Binding Sites List in 3e8l
Calcium binding site 4 out of 7 in the The Crystal Structure of the Double-Headed Arrowhead Protease Inhibitor A in Complex with Two Trypsins


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of The Crystal Structure of the Double-Headed Arrowhead Protease Inhibitor A in Complex with Two Trypsins within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca9

b:35.0
occ:0.80
 ND2 A:ASN46 3.7 41.1 1.0
O A:ILE45 3.8 39.0 0.5
O A:ILE45 3.9 39.0 0.5
NZ A:LYS232 4.0 54.8 1.0
CB A:ASN46 4.2 39.5 1.0
CG A:ASN46 4.5 40.0 1.0
CA A:CA10 4.5 35.0 0.8
CD1 A:ILE235 4.6 38.2 1.0
C A:ILE45 4.7 38.9 0.5
C A:ILE45 4.7 38.8 0.5
CG1 A:ILE45 4.8 37.5 0.5
CD1 A:LEU120 5.0 39.3 1.0

Calcium binding site 5 out of 7 in 3e8l

Go back to Calcium Binding Sites List in 3e8l
Calcium binding site 5 out of 7 in the The Crystal Structure of the Double-Headed Arrowhead Protease Inhibitor A in Complex with Two Trypsins


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 of The Crystal Structure of the Double-Headed Arrowhead Protease Inhibitor A in Complex with Two Trypsins within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca10

b:35.0
occ:0.80
 NZ A:LYS232 3.1 54.8 1.0
O A:HOH243 3.3 34.4 1.0
CE A:LYS232 3.9 53.2 1.0
CD A:LYS232 4.0 50.7 1.0
CA A:CA9 4.5 35.0 0.8
O A:HOH277 4.9 30.5 1.0
O A:HOH317 5.0 23.9 1.0

Calcium binding site 6 out of 7 in 3e8l

Go back to Calcium Binding Sites List in 3e8l
Calcium binding site 6 out of 7 in the The Crystal Structure of the Double-Headed Arrowhead Protease Inhibitor A in Complex with Two Trypsins


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 6 of The Crystal Structure of the Double-Headed Arrowhead Protease Inhibitor A in Complex with Two Trypsins within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca6

b:35.0
occ:0.50
 CD B:LYS140 3.4 41.5 1.0
CB B:LYS140 3.7 39.5 1.0
O B:SER142 3.7 42.1 1.0
CG B:LYS140 3.8 40.3 1.0
N B:SER142 4.0 41.1 1.0
CB B:SER142 4.0 41.3 1.0
N B:SER141 4.3 40.5 1.0
CA C:GLY16 4.3 35.5 1.0
CA B:LYS140 4.4 39.8 1.0
CA B:SER142 4.4 41.3 1.0
C B:SER142 4.5 41.7 1.0
CE B:LYS140 4.6 43.4 1.0
OG B:SER141 4.6 41.5 1.0
C B:LYS140 4.8 40.0 1.0
N C:GLY16 4.9 34.1 1.0

Calcium binding site 7 out of 7 in 3e8l

Go back to Calcium Binding Sites List in 3e8l
Calcium binding site 7 out of 7 in the The Crystal Structure of the Double-Headed Arrowhead Protease Inhibitor A in Complex with Two Trypsins


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 7 of The Crystal Structure of the Double-Headed Arrowhead Protease Inhibitor A in Complex with Two Trypsins within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca11

b:35.0
occ:0.50
 N B:GLY60 3.3 38.2 1.0
O B:HOH246 3.9 38.2 1.0
CA B:GLY60 3.9 37.9 1.0
O B:ALA82 4.1 39.6 1.0
C B:SER59 4.3 38.3 1.0
CA B:SER59 4.4 38.5 1.0
CB B:SER59 4.6 37.9 1.0
O B:SER83 4.9 40.9 1.0

Reference:

R.Bao, C.Z.Zhou, C.-H.Jiang, S.X.Lin, C.W.Chi, Y.X.Chen. The Ternary Structure of Double-Headed Arrowhead Protease Inhibitor Api-A Complexed with Two Trypsins Reveals A Novel Reactive Site Conformation. J.Biol.Chem. V. 284 26676 2009.
ISSN: ISSN 0021-9258
PubMed: 19640842
DOI: 10.1074/JBC.M109.022095
Page generated: Sat Jul 13 09:18:07 2024

Last articles

Zn in 9JPJ
Zn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy