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Calcium in PDB 3ci0: The Crystal Structure of the Gspk-Gspi-Gspj Complex From Enterotoxigenic Escherichia Coli Type 2 Secretion System

Protein crystallography data

The structure of The Crystal Structure of the Gspk-Gspi-Gspj Complex From Enterotoxigenic Escherichia Coli Type 2 Secretion System, PDB code: 3ci0 was solved by K.V.Korotkov, W.G.J.Hol, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 35.96 / 2.20
Space group P 41 21 2
Cell size a, b, c (Å), α, β, γ (°) 96.118, 96.118, 108.436, 90.00, 90.00, 90.00
R / Rfree (%) 19.2 / 25.9

Other elements in 3ci0:

The structure of The Crystal Structure of the Gspk-Gspi-Gspj Complex From Enterotoxigenic Escherichia Coli Type 2 Secretion System also contains other interesting chemical elements:

Chlorine (Cl) 1 atom

Calcium Binding Sites:

The binding sites of Calcium atom in the The Crystal Structure of the Gspk-Gspi-Gspj Complex From Enterotoxigenic Escherichia Coli Type 2 Secretion System (pdb code 3ci0). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 3 binding sites of Calcium where determined in the The Crystal Structure of the Gspk-Gspi-Gspj Complex From Enterotoxigenic Escherichia Coli Type 2 Secretion System, PDB code: 3ci0:
Jump to Calcium binding site number: 1; 2; 3;

Calcium binding site 1 out of 3 in 3ci0

Go back to Calcium Binding Sites List in 3ci0
Calcium binding site 1 out of 3 in the The Crystal Structure of the Gspk-Gspi-Gspj Complex From Enterotoxigenic Escherichia Coli Type 2 Secretion System


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 Gspk-Gspi-Gspj Complex From Enterotoxigenic Escherichia Coli Type 2 Secretion System within 5.0Å range:
probe atom residue distance (Å) B Occ
K:Ca401

b:73.1
occ:1.00
OD1 K:ASP144 2.3 76.0 1.0
OE1 K:GLU139 2.3 73.8 1.0
OD2 K:ASP142 2.3 73.9 1.0
O K:SER146 2.4 75.9 1.0
OE1 K:GLN148 2.4 74.4 1.0
OE2 K:GLU154 2.5 73.7 1.0
OD1 K:ASP142 2.5 72.4 1.0
CG K:ASP142 2.7 74.6 1.0
CG K:ASP144 3.0 78.0 1.0
OD2 K:ASP144 3.1 80.0 1.0
CD K:GLN148 3.4 76.7 1.0
CD K:GLU139 3.5 74.0 1.0
C K:SER146 3.6 76.8 1.0
NE2 K:GLN148 3.7 75.8 1.0
CD K:GLU154 3.7 76.2 1.0
CA K:CA402 3.8 71.1 1.0
O K:HOH435 4.1 57.5 1.0
O K:ASP144 4.1 75.5 1.0
CA K:GLU139 4.2 74.5 1.0
OE2 K:GLU139 4.2 75.1 1.0
CB K:ASP142 4.3 75.4 1.0
CG K:GLU154 4.4 78.0 1.0
N K:SER146 4.4 77.1 1.0
CB K:GLU139 4.4 74.4 1.0
N K:VAL147 4.5 76.9 1.0
CB K:ASP144 4.5 77.2 1.0
O K:GLU139 4.5 74.0 1.0
C K:ASP144 4.5 76.9 1.0
CG K:GLU139 4.5 74.8 1.0
CA K:VAL147 4.5 77.1 1.0
CA K:SER146 4.6 77.5 1.0
OE1 K:GLU154 4.6 72.7 1.0
N K:GLN148 4.7 77.7 1.0
CG K:GLN148 4.8 77.0 1.0
C K:VAL147 4.9 77.4 1.0
C K:GLU139 4.9 74.5 1.0
CA K:ASP144 4.9 77.0 1.0

Calcium binding site 2 out of 3 in 3ci0

Go back to Calcium Binding Sites List in 3ci0
Calcium binding site 2 out of 3 in the The Crystal Structure of the Gspk-Gspi-Gspj Complex From Enterotoxigenic Escherichia Coli Type 2 Secretion System


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 Gspk-Gspi-Gspj Complex From Enterotoxigenic Escherichia Coli Type 2 Secretion System within 5.0Å range:
probe atom residue distance (Å) B Occ
I:Ca115

b:69.8
occ:1.00
O I:HOH137 2.3 69.2 1.0
O I:ASP68 2.4 66.8 1.0
O J:HOH240 2.7 56.0 1.0
O J:HOH211 2.8 63.6 1.0
C I:ASP68 3.6 67.0 1.0
OE2 J:GLU181 3.8 69.2 1.0
CB I:ASP68 4.2 67.8 1.0
CA I:ASP68 4.3 67.3 1.0
OE1 J:GLU183 4.3 72.4 1.0
N I:ASP68 4.4 66.3 1.0
N I:MSE69 4.5 67.6 1.0
CD J:GLU181 4.6 63.6 1.0
CA I:MSE69 4.6 68.7 1.0
CG J:GLU181 4.7 62.9 1.0
CB J:GLU183 4.8 61.0 1.0
CE I:MSE69 4.8 48.5 1.0
O I:HOH116 4.8 44.0 1.0
O J:HOH241 4.9 72.7 1.0
O J:GLU181 5.0 55.9 1.0

Calcium binding site 3 out of 3 in 3ci0

Go back to Calcium Binding Sites List in 3ci0
Calcium binding site 3 out of 3 in the The Crystal Structure of the Gspk-Gspi-Gspj Complex From Enterotoxigenic Escherichia Coli Type 2 Secretion System


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 Gspk-Gspi-Gspj Complex From Enterotoxigenic Escherichia Coli Type 2 Secretion System within 5.0Å range:
probe atom residue distance (Å) B Occ
K:Ca402

b:71.1
occ:1.00
O K:GLU139 2.3 74.0 1.0
OD1 K:ASP142 2.3 72.4 1.0
O K:ASP144 2.3 75.5 1.0
OD1 K:ASN169 2.4 73.1 1.0
OE1 K:GLU154 2.4 72.7 1.0
O K:ASP142 2.4 74.1 1.0
OE2 K:GLU154 2.4 73.7 1.0
CD K:GLU154 2.7 76.2 1.0
CG K:ASN169 3.3 73.7 1.0
C K:ASP142 3.4 75.6 1.0
C K:GLU139 3.5 74.5 1.0
CG K:ASP142 3.5 74.6 1.0
C K:ASP144 3.6 76.9 1.0
CA K:CA401 3.8 73.1 1.0
OD1 K:ASP144 4.0 76.0 1.0
ND2 K:ASN169 4.1 73.2 1.0
CA K:ASP142 4.1 75.1 1.0
CA K:GLU139 4.2 74.5 1.0
N K:ASP144 4.2 76.8 1.0
CB K:ASN169 4.2 73.1 1.0
N K:ASP142 4.2 75.3 1.0
CG K:GLU154 4.3 78.0 1.0
O K:HOH415 4.3 58.9 1.0
CA K:ASN169 4.4 72.8 1.0
C K:GLU143 4.4 77.1 1.0
CB K:ASP142 4.4 75.4 1.0
N K:GLU143 4.4 76.1 1.0
OD2 K:ASP142 4.4 73.9 1.0
N K:ARG145 4.5 77.4 1.0
CA K:ASP144 4.5 77.0 1.0
CA K:ARG145 4.5 77.9 1.0
N K:PHE140 4.5 74.9 1.0
C K:PHE140 4.6 75.5 1.0
O K:PHE140 4.6 75.9 1.0
CG K:ASP144 4.6 78.0 1.0
CA K:GLU143 4.8 77.6 1.0
CA K:PHE140 4.8 75.4 1.0
CB K:GLU139 4.8 74.4 1.0
O K:GLU143 4.8 77.3 1.0
OE1 K:GLU139 4.8 73.8 1.0
C K:ILE141 4.9 75.5 1.0
N K:ILE141 5.0 75.7 1.0

Reference:

K.V.Korotkov, W.G.Hol. Structure of the Gspk-Gspi-Gspj Complex From the Enterotoxigenic Escherichia Coli Type 2 Secretion System. Nat.Struct.Mol.Biol. V. 15 462 2008.
ISSN: ISSN 1545-9993
PubMed: 18438417
DOI: 10.1038/NSMB.1426
Page generated: Sat Jul 13 08:38:54 2024

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