Calcium in PDB 3li6: Crystal Structure and Trimer-Monomer Transition of N-Terminal Domain of EHCABP1 From Entamoeba Histolytica

The structure of Crystal Structure and Trimer-Monomer Transition of N-Terminal Domain of EHCABP1 From Entamoeba Histolytica, PDB code: 3li6 was solved by S.Kumar, E.Ahmad, S.Kumar, M.S.Mansuri, R.H.Khan, G.Samudrala, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	22.49 / 2.50
Space group	P 3
Cell size a, b, c (Å), α, β, γ (°)	89.583, 89.583, 35.049, 90.00, 90.00, 120.00
R / Rfree (%)	23.1 / 28.7

The binding sites of Calcium atom in the Crystal Structure and Trimer-Monomer Transition of N-Terminal Domain of EHCABP1 From Entamoeba Histolytica (pdb code 3li6). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 8 binding sites of Calcium where determined in the Crystal Structure and Trimer-Monomer Transition of N-Terminal Domain of EHCABP1 From Entamoeba Histolytica, PDB code: 3li6:
Jump to Calcium binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Calcium binding site 1 out of 8 in the Crystal Structure and Trimer-Monomer Transition of N-Terminal Domain of EHCABP1 From Entamoeba Histolytica


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure and Trimer-Monomer Transition of N-Terminal Domain of EHCABP1 From Entamoeba Histolytica within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca149 b:43.8 occ:1.00 O A:ALA16 2.4 37.2 1.0 OD1 A:ASP14 2.5 45.7 1.0 OD1 A:ASN12 2.5 49.0 1.0 OD1 A:ASP10 2.5 38.5 1.0 OE2 A:GLU21 2.6 43.4 1.0 OE1 A:GLU21 2.7 40.4 1.0 O A:HOH71 2.7 47.2 1.0 CD A:GLU21 3.0 39.7 1.0 CG A:ASP14 3.3 46.4 1.0 CG A:ASN12 3.3 43.4 1.0 CG A:ASP10 3.6 40.9 1.0 ND2 A:ASN12 3.6 44.6 1.0 C A:ALA16 3.6 35.7 1.0 OD2 A:ASP14 3.7 51.8 1.0 N A:ASP14 4.3 43.2 1.0 CA A:ASP10 4.3 40.5 1.0 N A:ALA16 4.4 45.7 1.0 OD2 A:ASP10 4.4 37.8 1.0 CA A:VAL17 4.4 38.5 1.0 N A:ASN12 4.4 36.0 1.0 CB A:ASP14 4.4 42.4 1.0 N A:SER18 4.5 40.4 1.0 CB A:ASP10 4.5 41.3 1.0 CG A:GLU21 4.5 41.1 1.0 N A:VAL17 4.5 36.2 1.0 CA A:ALA16 4.5 43.6 1.0 CB A:ASN12 4.5 32.8 1.0 C A:ASP10 4.6 42.1 1.0 N A:GLY13 4.6 41.1 1.0 N A:VAL11 4.8 39.0 1.0 CA A:ASP14 4.8 40.0 1.0 CA A:ASN12 4.8 43.3 1.0 CB A:ALA16 4.9 40.2 1.0 C A:ASN12 4.9 44.9 1.0 C A:VAL17 4.9 40.6 1.0 N A:GLY15 4.9 40.2 1.0 OG A:SER18 5.0 40.8 1.0

Calcium binding site 2 out of 8 in the Crystal Structure and Trimer-Monomer Transition of N-Terminal Domain of EHCABP1 From Entamoeba Histolytica


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure and Trimer-Monomer Transition of N-Terminal Domain of EHCABP1 From Entamoeba Histolytica within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca150 b:62.8 occ:1.00 OD1 A:ASP48 2.5 63.0 1.0 OE2 A:GLU57 2.6 55.2 1.0 O A:GLU52 2.6 53.0 1.0 OE1 A:GLU57 2.6 54.8 1.0 OD1 A:ASN50 2.6 54.4 1.0 OD1 A:ASP46 2.7 58.7 1.0 CD A:GLU57 2.9 53.0 1.0 O A:HOH75 2.9 60.9 1.0 CG A:ASP48 3.2 61.5 1.0 CG A:ASN50 3.3 59.1 1.0 OD2 A:ASP48 3.5 66.8 1.0 OD2 A:ASP54 3.7 57.5 1.0 C A:GLU52 3.7 47.4 1.0 ND2 A:ASN50 3.8 61.3 1.0 CG A:ASP46 3.9 58.3 1.0 N A:ASN50 4.3 60.2 1.0 CB A:ASP48 4.3 55.5 1.0 CB A:ASN50 4.4 60.3 1.0 CG A:GLU57 4.4 51.1 1.0 N A:ASP54 4.4 40.7 1.0 CA A:ILE53 4.4 42.4 1.0 N A:GLU52 4.5 57.8 1.0 N A:ILE53 4.5 43.5 1.0 N A:ASP48 4.6 60.2 1.0 CG A:ASP54 4.6 49.6 1.0 OD2 A:ASP46 4.6 57.9 1.0 CA A:GLU52 4.7 52.1 1.0 CA A:ASN50 4.7 60.7 1.0 CA A:ASP46 4.8 57.4 1.0 CA A:ASP48 4.9 63.6 1.0 N A:GLY49 4.9 60.7 1.0 C A:ILE53 4.9 41.9 1.0 C A:ASP46 4.9 61.9 1.0 C A:ASP48 4.9 64.7 1.0 N A:GLY51 4.9 57.7 1.0 CB A:ASP46 4.9 58.3 1.0 C A:ASN50 5.0 60.8 1.0

Calcium binding site 3 out of 8 in the Crystal Structure and Trimer-Monomer Transition of N-Terminal Domain of EHCABP1 From Entamoeba Histolytica


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Crystal Structure and Trimer-Monomer Transition of N-Terminal Domain of EHCABP1 From Entamoeba Histolytica within 5.0Å range: probe atom residue distance (Å) B Occ D:Ca149 b:41.6 occ:1.00 O D:ALA16 2.4 36.1 1.0 OD1 D:ASP14 2.4 45.9 1.0 OD1 D:ASP10 2.5 39.7 1.0 O D:HOH82 2.5 44.3 1.0 OE2 D:GLU21 2.6 45.7 1.0 OD1 D:ASN12 2.6 49.4 1.0 OE1 D:GLU21 2.6 39.2 1.0 CD D:GLU21 2.9 43.3 1.0 CG D:ASN12 3.1 45.0 1.0 ND2 D:ASN12 3.3 40.0 1.0 CG D:ASP14 3.3 47.6 1.0 CG D:ASP10 3.5 43.1 1.0 C D:ALA16 3.6 37.2 1.0 OD2 D:ASP14 3.8 49.8 1.0 N D:ASP14 4.2 43.7 1.0 CA D:ASP10 4.2 40.1 1.0 CB D:ASP10 4.3 41.1 1.0 OD2 D:ASP10 4.3 40.9 1.0 CB D:ASN12 4.3 35.9 1.0 N D:GLY13 4.3 46.0 1.0 N D:ALA16 4.4 45.8 1.0 N D:ASN12 4.4 36.5 1.0 CA D:VAL17 4.4 41.9 1.0 CG D:GLU21 4.5 43.4 1.0 N D:VAL17 4.5 41.9 1.0 CB D:ASP14 4.5 41.9 1.0 CA D:ALA16 4.5 43.7 1.0 C D:ASP10 4.6 44.0 1.0 N D:SER18 4.6 40.6 1.0 CA D:ASN12 4.7 41.3 1.0 N D:VAL11 4.7 43.5 1.0 O D:HOH77 4.7 43.7 1.0 C D:ASN12 4.8 46.2 1.0 CA D:ASP14 4.8 41.0 1.0 CB D:ALA16 4.9 42.0 1.0 O D:HOH73 4.9 43.4 1.0 N D:GLY15 4.9 43.5 1.0 C D:VAL17 5.0 41.0 1.0

Calcium binding site 4 out of 8 in the Crystal Structure and Trimer-Monomer Transition of N-Terminal Domain of EHCABP1 From Entamoeba Histolytica


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Crystal Structure and Trimer-Monomer Transition of N-Terminal Domain of EHCABP1 From Entamoeba Histolytica within 5.0Å range: probe atom residue distance (Å) B Occ D:Ca150 b:59.1 occ:1.00 O D:GLU52 2.4 53.0 1.0 O D:HOH70 2.5 49.9 1.0 OD1 D:ASP46 2.5 56.0 1.0 OE2 D:GLU57 2.5 55.7 1.0 OD1 D:ASN50 2.5 56.4 1.0 OE1 D:GLU57 2.6 52.6 1.0 OD1 D:ASP48 2.8 62.0 1.0 CD D:GLU57 2.9 51.1 1.0 OE2 D:GLU52 3.1 64.2 1.0 CG D:ASP48 3.3 62.1 1.0 OD2 D:ASP48 3.4 59.8 1.0 CG D:ASN50 3.6 59.2 1.0 C D:GLU52 3.6 51.2 1.0 CG D:ASP46 3.7 59.0 1.0 N D:ASN50 4.1 57.7 1.0 N D:GLY49 4.3 60.6 1.0 N D:GLU52 4.3 59.5 1.0 N D:ASP48 4.3 59.8 1.0 ND2 D:ASN50 4.3 57.4 1.0 CA D:ASP46 4.4 54.8 1.0 CG D:GLU57 4.4 47.9 1.0 CD D:GLU52 4.4 64.2 1.0 CB D:ASP48 4.4 62.2 1.0 C D:ASP46 4.4 62.2 1.0 OD2 D:ASP46 4.4 59.8 1.0 CA D:ILE53 4.5 43.1 1.0 N D:ILE53 4.5 46.4 1.0 C D:ASP48 4.5 65.3 1.0 CB D:ASN50 4.5 62.4 1.0 CA D:GLU52 4.6 55.1 1.0 CB D:ASP46 4.6 57.3 1.0 CA D:ASP48 4.6 61.1 1.0 CA D:ASN50 4.7 60.5 1.0 O D:ASP46 4.7 56.0 1.0 OD2 D:ASP54 4.7 49.9 1.0 N D:ALA47 4.7 61.6 1.0 N D:ASP54 4.7 42.9 1.0 N D:GLY51 4.8 59.8 1.0 C D:ASN50 4.9 62.4 1.0

Calcium binding site 5 out of 8 in the Crystal Structure and Trimer-Monomer Transition of N-Terminal Domain of EHCABP1 From Entamoeba Histolytica


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 of Crystal Structure and Trimer-Monomer Transition of N-Terminal Domain of EHCABP1 From Entamoeba Histolytica within 5.0Å range: probe atom residue distance (Å) B Occ G:Ca149 b:40.3 occ:1.00 O G:ALA16 2.4 38.2 1.0 OD1 G:ASP10 2.4 43.1 1.0 O G:HOH81 2.5 43.7 1.0 OD1 G:ASP14 2.5 46.0 1.0 OE2 G:GLU21 2.6 47.3 1.0 OE1 G:GLU21 2.6 41.3 1.0 OD1 G:ASN12 2.6 49.1 1.0 CD G:GLU21 2.9 42.6 1.0 CG G:ASN12 3.1 43.3 1.0 ND2 G:ASN12 3.2 38.0 1.0 CG G:ASP14 3.3 43.9 1.0 CG G:ASP10 3.6 43.8 1.0 C G:ALA16 3.6 36.2 1.0 OD2 G:ASP14 3.7 43.3 1.0 N G:ASP14 4.2 43.1 1.0 N G:ALA16 4.3 44.8 1.0 CA G:ASP10 4.3 42.4 1.0 OD2 G:ASP10 4.4 39.0 1.0 CG G:GLU21 4.4 45.7 1.0 CB G:ASP14 4.4 40.8 1.0 CB G:ASN12 4.4 33.6 1.0 N G:ASN12 4.4 41.2 1.0 CB G:ASP10 4.5 44.3 1.0 CA G:ALA16 4.5 41.3 1.0 N G:VAL17 4.5 40.2 1.0 C G:ASP10 4.6 45.4 1.0 N G:SER18 4.6 39.3 1.0 CA G:VAL17 4.6 38.1 1.0 O G:HOH73 4.6 45.3 1.0 N G:GLY13 4.6 45.6 1.0 CA G:ASP14 4.7 39.9 1.0 N G:VAL11 4.8 41.3 1.0 CA G:ASN12 4.8 44.5 1.0 CB G:ALA16 4.9 41.8 1.0 C G:ASN12 4.9 47.1 1.0 N G:GLY15 4.9 44.7 1.0

Calcium binding site 6 out of 8 in the Crystal Structure and Trimer-Monomer Transition of N-Terminal Domain of EHCABP1 From Entamoeba Histolytica


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 6 of Crystal Structure and Trimer-Monomer Transition of N-Terminal Domain of EHCABP1 From Entamoeba Histolytica within 5.0Å range: probe atom residue distance (Å) B Occ G:Ca150 b:58.3 occ:1.00 O G:GLU52 2.5 53.3 1.0 OE2 G:GLU57 2.5 56.2 1.0 OD1 G:ASP46 2.6 58.4 1.0 OE1 G:GLU57 2.6 52.5 1.0 O G:HOH67 2.6 54.0 1.0 OD1 G:ASN50 2.6 55.9 1.0 OD1 G:ASP48 2.8 60.5 1.0 CD G:GLU57 2.9 51.9 1.0 OE2 G:GLU52 3.0 62.0 1.0 CG G:ASN50 3.3 61.5 1.0 CG G:ASP48 3.4 57.4 1.0 OD2 G:ASP48 3.6 60.6 1.0 CG G:ASP46 3.6 57.2 1.0 C G:GLU52 3.7 50.2 1.0 ND2 G:ASN50 3.8 62.3 1.0 N G:ASN50 4.0 61.0 1.0 CD G:GLU52 4.1 64.9 1.0 OD2 G:ASP46 4.3 55.7 1.0 CG G:GLU57 4.4 48.0 1.0 N G:GLU52 4.4 56.0 1.0 CB G:ASN50 4.4 58.8 1.0 CA G:ILE53 4.4 40.9 1.0 N G:ASP48 4.4 59.8 1.0 CA G:ASP46 4.4 54.3 1.0 OD2 G:ASP54 4.4 55.3 1.0 N G:GLY49 4.4 61.0 1.0 CG G:GLU52 4.5 60.4 1.0 N G:ILE53 4.5 44.9 1.0 C G:ASP46 4.5 58.9 1.0 N G:ASP54 4.6 42.9 1.0 CB G:ASP48 4.6 57.2 1.0 CB G:ASP46 4.6 55.1 1.0 CA G:ASN50 4.6 60.1 1.0 CA G:GLU52 4.7 52.3 1.0 C G:ASP48 4.7 63.0 1.0 CA G:ASP48 4.8 58.3 1.0 N G:GLY51 4.8 56.8 1.0 O G:ASP46 4.9 57.4 1.0 N G:ALA47 4.9 59.1 1.0 C G:ASN50 4.9 59.6 1.0 C G:ILE53 5.0 43.2 1.0

Calcium binding site 7 out of 8 in the Crystal Structure and Trimer-Monomer Transition of N-Terminal Domain of EHCABP1 From Entamoeba Histolytica


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 7 of Crystal Structure and Trimer-Monomer Transition of N-Terminal Domain of EHCABP1 From Entamoeba Histolytica within 5.0Å range: probe atom residue distance (Å) B Occ J:Ca149 b:43.3 occ:1.00 O J:ALA16 2.3 38.4 1.0 OD1 J:ASN12 2.4 52.5 1.0 OD1 J:ASP14 2.5 49.5 1.0 OD1 J:ASP10 2.5 43.1 1.0 O J:HOH81 2.6 51.0 1.0 OE2 J:GLU21 2.6 42.3 1.0 OE1 J:GLU21 2.7 39.8 1.0 CD J:GLU21 3.0 42.5 1.0 CG J:ASP14 3.3 49.7 1.0 CG J:ASN12 3.3 49.0 1.0 C J:ALA16 3.5 38.7 1.0 CG J:ASP10 3.6 45.1 1.0 OD2 J:ASP14 3.6 49.4 1.0 ND2 J:ASN12 3.7 47.0 1.0 N J:ASP14 4.2 46.0 1.0 N J:ALA16 4.2 47.3 1.0 CA J:ASP10 4.3 40.2 1.0 OD2 J:ASP10 4.4 42.6 1.0 CA J:ALA16 4.4 47.8 1.0 CB J:ASP14 4.4 43.6 1.0 CB J:ASP10 4.4 40.3 1.0 N J:VAL17 4.4 40.4 1.0 N J:ASN12 4.4 38.6 1.0 CA J:VAL17 4.5 40.5 1.0 N J:GLY13 4.5 46.3 1.0 CG J:GLU21 4.5 43.4 1.0 N J:SER18 4.5 41.4 1.0 C J:ASP10 4.6 43.8 1.0 CB J:ASN12 4.6 38.7 1.0 N J:VAL11 4.7 41.6 1.0 CB J:ALA16 4.7 43.4 1.0 CA J:ASP14 4.7 43.7 1.0 CA J:ASN12 4.9 43.1 1.0 N J:GLY15 4.9 47.3 1.0 C J:ASN12 4.9 48.7 1.0 C J:VAL17 5.0 43.3 1.0

Calcium binding site 8 out of 8 in the Crystal Structure and Trimer-Monomer Transition of N-Terminal Domain of EHCABP1 From Entamoeba Histolytica


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 8 of Crystal Structure and Trimer-Monomer Transition of N-Terminal Domain of EHCABP1 From Entamoeba Histolytica within 5.0Å range: probe atom residue distance (Å) B Occ J:Ca150 b:58.4 occ:1.00 O J:GLU52 2.5 57.1 1.0 OD1 J:ASP46 2.6 60.1 1.0 OD1 J:ASN50 2.6 57.8 1.0 OE2 J:GLU57 2.6 54.2 1.0 OE1 J:GLU57 2.6 54.2 1.0 O J:HOH82 2.6 53.9 1.0 OD1 J:ASP48 2.6 63.1 1.0 CD J:GLU57 2.9 54.2 1.0 CG J:ASP48 3.3 62.5 1.0 CG J:ASN50 3.3 59.1 1.0 OD2 J:ASP48 3.5 67.0 1.0 OE2 J:GLU52 3.6 66.5 1.0 CG J:ASP46 3.6 59.0 1.0 C J:GLU52 3.7 53.3 1.0 ND2 J:ASN50 4.0 58.5 1.0 N J:ASN50 4.0 61.7 1.0 N J:GLU52 4.2 57.1 1.0 OD2 J:ASP46 4.2 60.0 1.0 CD J:GLU52 4.3 66.6 1.0 CB J:ASN50 4.3 59.4 1.0 OD2 J:ASP54 4.4 59.2 1.0 CB J:ASP48 4.4 61.0 1.0 CG J:GLU57 4.4 53.1 1.0 N J:GLY49 4.5 61.5 1.0 CA J:ASN50 4.5 60.0 1.0 N J:ASP48 4.5 62.2 1.0 CA J:ILE53 4.5 46.3 1.0 CG J:GLU52 4.6 61.9 1.0 N J:ILE53 4.6 48.8 1.0 CA J:GLU52 4.6 54.3 1.0 N J:GLY51 4.6 55.3 1.0 CA J:ASP46 4.6 54.0 1.0 N J:ASP54 4.6 45.2 1.0 CB J:ASP46 4.7 56.0 1.0 C J:ASN50 4.7 60.2 1.0 C J:ASP48 4.7 66.4 1.0 C J:ASP46 4.7 62.8 1.0 CA J:ASP48 4.7 62.5 1.0 O J:ASP46 4.8 61.7 1.0 C J:GLY49 5.0 59.9 1.0

S.Kumar, E.Ahmad, M.S.Mansuri, S.Kumar, R.Jain, R.H.Khan, S.Gourinath. Crystal Structure and Trimer-Monomer Transition of N-Terminal Domain of EHCABP1 From Entamoeba Histolytica Biophys.J. V. 98 2933 2010.
ISSN: ISSN 0006-3495
PubMed: 20550906
DOI: 10.1016/J.BPJ.2010.03.048