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Calcium in PDB 9ks7: Crystal Structure of T. Rubripes Mincle with Glycerol

Protein crystallography data

The structure of Crystal Structure of T. Rubripes Mincle with Glycerol, PDB code: 9ks7 was solved by T.Ito, M.Nagae, S.Yamasaki, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 44.19 / 1.70
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 51.531, 72.371, 88.646, 90, 94.43, 90
R / Rfree (%) 17.3 / 19.7

Calcium Binding Sites:

The binding sites of Calcium atom in the Crystal Structure of T. Rubripes Mincle with Glycerol (pdb code 9ks7). 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 of T. Rubripes Mincle with Glycerol, PDB code: 9ks7:
Jump to Calcium binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Calcium binding site 1 out of 8 in 9ks7

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Calcium binding site 1 out of 8 in the Crystal Structure of T. Rubripes Mincle with Glycerol


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of T. Rubripes Mincle with Glycerol within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca202

b:17.3
occ:1.00
O A:ILE91 2.2 15.0 1.0
OD1 A:ASN93 2.3 19.7 1.0
O A:HOH350 2.4 18.4 1.0
O A:HOH377 2.4 18.8 1.0
OE2 A:GLU175 2.5 16.6 1.0
OE2 A:GLU97 2.5 16.0 1.0
OE1 A:GLU175 2.5 15.7 1.0
OE1 A:GLU97 2.8 17.8 1.0
CD A:GLU175 2.9 17.7 1.0
CD A:GLU97 3.0 14.3 1.0
C A:ILE91 3.4 13.8 1.0
CG A:ASN93 3.5 24.7 1.0
CA A:ILE91 4.2 14.2 1.0
CB A:ILE91 4.2 14.6 1.0
OH A:TYR66 4.2 16.4 1.0
CB A:ASN93 4.2 22.7 1.0
N A:ILE91 4.3 14.2 1.0
O A:HOH324 4.3 32.5 1.0
N A:ASN93 4.3 16.9 1.0
CG A:GLU175 4.4 15.8 1.0
N A:ILE92 4.4 15.1 1.0
CG A:GLU97 4.5 16.9 1.0
O A:HOH387 4.5 21.3 1.0
ND2 A:ASN93 4.6 21.1 1.0
CG2 A:ILE91 4.6 14.8 1.0
CA A:ILE92 4.6 15.6 1.0
O A:HOH388 4.7 32.3 1.0
OG A:SER64 4.7 19.0 1.0
O A:HOH323 4.8 24.3 1.0
C A:ILE92 4.8 17.1 1.0
CA A:ASN93 4.9 19.4 1.0

Calcium binding site 2 out of 8 in 9ks7

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Calcium binding site 2 out of 8 in the Crystal Structure of T. Rubripes Mincle with Glycerol


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure of T. Rubripes Mincle with Glycerol within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca203

b:16.4
occ:1.00
OD1 A:ASN162 2.4 15.3 1.0
OD1 A:ASP163 2.4 17.4 1.0
OD1 A:ASN140 2.4 15.7 1.0
O A:ASP163 2.4 14.1 1.0
O2 A:GOL201 2.5 19.0 1.0
O1 A:GOL201 2.5 15.8 1.0
OE1 A:GLU138 2.5 17.2 1.0
OE1 A:GLU147 2.5 19.2 1.0
CG A:ASP163 3.3 15.1 1.0
CG A:ASN162 3.4 14.8 1.0
CD A:GLU138 3.4 18.9 1.0
C2 A:GOL201 3.4 22.3 1.0
CG A:ASN140 3.4 18.1 1.0
C1 A:GOL201 3.4 16.7 1.0
CD A:GLU147 3.5 21.4 1.0
C A:ASP163 3.5 15.5 1.0
OE2 A:GLU138 3.7 20.5 1.0
ND2 A:ASN162 3.8 15.2 1.0
OE2 A:GLU147 3.8 17.2 1.0
N A:ASP163 3.8 13.1 1.0
ND2 A:ASN140 3.9 17.7 1.0
CA A:ASP163 4.1 11.4 1.0
OD2 A:ASP163 4.1 15.7 1.0
N A:ASN140 4.2 15.9 1.0
CB A:ASP163 4.3 12.6 1.0
CB A:TYR142 4.3 19.5 1.0
N A:TYR142 4.5 18.9 1.0
CB A:ASN140 4.6 17.4 1.0
C A:ASN162 4.6 16.3 1.0
N A:ASN141 4.6 16.6 1.0
C3 A:GOL201 4.6 41.3 1.0
CG A:GLU138 4.6 16.6 1.0
CB A:ASN162 4.6 16.3 1.0
N A:LEU164 4.7 15.2 1.0
CG A:GLU147 4.7 16.6 1.0
CA A:ASN140 4.7 17.2 1.0
CB A:GLU147 4.8 16.8 1.0
CA A:ASN162 4.8 16.7 1.0
C A:ASN140 4.9 16.4 1.0

Calcium binding site 3 out of 8 in 9ks7

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Calcium binding site 3 out of 8 in the Crystal Structure of T. Rubripes Mincle with Glycerol


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Crystal Structure of T. Rubripes Mincle with Glycerol within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca202

b:17.8
occ:1.00
O B:ILE91 2.2 13.8 1.0
OD1 B:ASN93 2.3 19.3 1.0
OE2 B:GLU97 2.4 18.2 1.0
O B:HOH383 2.4 20.6 1.0
OE2 B:GLU175 2.5 18.5 1.0
O B:HOH359 2.5 19.1 1.0
OE1 B:GLU175 2.6 18.8 1.0
OE1 B:GLU97 2.7 19.1 1.0
CD B:GLU97 2.9 16.9 1.0
CD B:GLU175 2.9 18.8 1.0
C B:ILE91 3.4 15.3 1.0
CG B:ASN93 3.5 22.8 1.0
CA B:ILE91 4.2 15.5 1.0
OH B:TYR66 4.2 19.2 1.0
N B:ASN93 4.2 18.1 1.0
CB B:ILE91 4.3 15.1 1.0
CB B:ASN93 4.3 23.8 1.0
N B:ILE91 4.3 15.5 1.0
CG B:GLU97 4.4 16.9 1.0
N B:ILE92 4.4 15.3 1.0
CG B:GLU175 4.4 17.8 1.0
O B:HOH326 4.5 24.1 1.0
ND2 B:ASN93 4.5 25.5 1.0
CA B:ILE92 4.6 16.4 1.0
O B:HOH390 4.6 20.2 1.0
O B:HOH313 4.6 28.3 1.0
CG2 B:ILE91 4.7 16.4 1.0
OG B:SER64 4.7 21.1 1.0
O B:HOH392 4.7 35.1 1.0
C B:ILE92 4.8 20.1 1.0
CA B:ASN93 4.9 21.7 1.0

Calcium binding site 4 out of 8 in 9ks7

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Calcium binding site 4 out of 8 in the Crystal Structure of T. Rubripes Mincle with Glycerol


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Crystal Structure of T. Rubripes Mincle with Glycerol within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca203

b:16.1
occ:1.00
OD1 B:ASP163 2.4 15.0 1.0
OD1 B:ASN140 2.4 16.3 1.0
O1 B:GOL201 2.4 15.4 1.0
OD1 B:ASN162 2.4 16.3 1.0
OE1 B:GLU147 2.5 17.6 1.0
O B:ASP163 2.5 13.8 1.0
O2 B:GOL201 2.5 16.9 1.0
OE1 B:GLU138 2.5 16.6 1.0
CG B:ASP163 3.3 17.6 1.0
C2 B:GOL201 3.3 19.6 1.0
C1 B:GOL201 3.3 14.6 1.0
CD B:GLU138 3.4 18.4 1.0
CG B:ASN140 3.4 21.9 1.0
CD B:GLU147 3.4 19.8 1.0
CG B:ASN162 3.4 15.3 1.0
C B:ASP163 3.6 12.4 1.0
OE2 B:GLU138 3.7 19.5 1.0
N B:ASP163 3.8 13.0 1.0
OE2 B:GLU147 3.8 15.2 1.0
ND2 B:ASN162 3.8 13.6 1.0
ND2 B:ASN140 3.9 18.1 1.0
OD2 B:ASP163 4.0 15.1 1.0
CA B:ASP163 4.1 11.9 1.0
N B:ASN140 4.2 15.7 1.0
CB B:ASP163 4.3 15.2 1.0
CB B:TYR142 4.3 18.9 1.0
N B:TYR142 4.5 20.1 1.0
N B:ASN141 4.6 15.5 1.0
C B:ASN162 4.6 15.2 1.0
CB B:ASN140 4.6 18.4 1.0
CG B:GLU138 4.6 16.0 1.0
N B:LEU164 4.7 14.7 1.0
CG B:GLU147 4.7 16.5 1.0
CB B:ASN162 4.7 14.7 1.0
CA B:ASN140 4.8 16.8 1.0
C3 B:GOL201 4.8 33.0 1.0
CB B:GLU147 4.9 13.9 1.0
CA B:ASN162 4.9 14.1 1.0
C B:ASN140 4.9 17.3 1.0
CA B:TYR142 5.0 19.2 1.0

Calcium binding site 5 out of 8 in 9ks7

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Calcium binding site 5 out of 8 in the Crystal Structure of T. Rubripes Mincle with Glycerol


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 of Crystal Structure of T. Rubripes Mincle with Glycerol within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Ca202

b:16.7
occ:1.00
O E:ILE91 2.3 14.9 1.0
O E:HOH379 2.4 20.8 1.0
OD1 E:ASN93 2.4 20.6 1.0
OE2 E:GLU175 2.4 16.8 1.0
O E:HOH361 2.4 17.1 1.0
OE2 E:GLU97 2.5 14.6 1.0
OE1 E:GLU175 2.6 16.1 1.0
OE1 E:GLU97 2.8 18.6 1.0
CD E:GLU175 2.9 19.9 1.0
CD E:GLU97 3.0 15.3 1.0
C E:ILE91 3.5 14.8 1.0
CG E:ASN93 3.6 23.1 1.0
OH E:TYR66 4.2 16.8 1.0
CB E:ILE91 4.2 16.7 1.0
CA E:ILE91 4.2 14.8 1.0
N E:ILE91 4.3 13.3 1.0
CB E:ASN93 4.3 22.4 1.0
N E:ASN93 4.3 18.4 1.0
CG E:GLU175 4.4 18.3 1.0
O E:HOH391 4.5 45.9 1.0
CG E:GLU97 4.5 14.6 1.0
O E:HOH330 4.5 20.9 1.0
N E:ILE92 4.5 15.6 1.0
O E:HOH392 4.6 23.0 1.0
ND2 E:ASN93 4.6 25.9 1.0
O E:HOH335 4.6 29.7 1.0
CG2 E:ILE91 4.6 16.5 1.0
CA E:ILE92 4.7 17.3 1.0
OG E:SER64 4.7 18.4 1.0
C E:ILE92 4.9 18.4 1.0
CA E:ASN93 5.0 22.7 1.0

Calcium binding site 6 out of 8 in 9ks7

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Calcium binding site 6 out of 8 in the Crystal Structure of T. Rubripes Mincle with Glycerol


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 6 of Crystal Structure of T. Rubripes Mincle with Glycerol within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Ca203

b:15.9
occ:1.00
OD1 E:ASP163 2.3 14.6 1.0
OD1 E:ASN140 2.4 15.8 1.0
OD1 E:ASN162 2.4 16.8 1.0
O E:ASP163 2.5 13.8 1.0
OE1 E:GLU147 2.5 17.5 1.0
O1 E:GOL201 2.5 15.5 1.0
OE1 E:GLU138 2.5 17.4 1.0
O2 E:GOL201 2.6 16.6 1.0
CG E:ASP163 3.3 16.0 1.0
CG E:ASN140 3.4 19.8 1.0
C1 E:GOL201 3.4 17.6 1.0
CG E:ASN162 3.4 17.0 1.0
C2 E:GOL201 3.4 25.2 1.0
CD E:GLU138 3.4 18.9 1.0
CD E:GLU147 3.5 17.4 1.0
C E:ASP163 3.5 14.1 1.0
OE2 E:GLU138 3.7 18.8 1.0
N E:ASP163 3.8 15.2 1.0
ND2 E:ASN162 3.8 15.5 1.0
OE2 E:GLU147 3.8 17.8 1.0
ND2 E:ASN140 4.0 18.8 1.0
OD2 E:ASP163 4.0 14.9 1.0
CA E:ASP163 4.0 13.4 1.0
N E:ASN140 4.2 16.2 1.0
CB E:ASP163 4.3 12.9 1.0
CB E:TYR142 4.4 18.2 1.0
N E:TYR142 4.5 20.2 1.0
CB E:ASN140 4.6 18.9 1.0
N E:ASN141 4.6 15.0 1.0
C E:ASN162 4.6 14.0 1.0
CG E:GLU138 4.6 17.2 1.0
CB E:ASN162 4.7 14.5 1.0
N E:LEU164 4.7 14.3 1.0
CG E:GLU147 4.7 16.3 1.0
CA E:ASN140 4.8 17.0 1.0
C3 E:GOL201 4.8 30.9 1.0
CB E:GLU147 4.8 15.5 1.0
CA E:ASN162 4.9 13.0 1.0
C E:ASN140 5.0 16.3 1.0

Calcium binding site 7 out of 8 in 9ks7

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Calcium binding site 7 out of 8 in the Crystal Structure of T. Rubripes Mincle with Glycerol


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 7 of Crystal Structure of T. Rubripes Mincle with Glycerol within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Ca202

b:17.0
occ:1.00
O G:ILE91 2.3 15.4 1.0
OD1 G:ASN93 2.4 19.8 1.0
O G:HOH349 2.4 18.0 1.0
OE2 G:GLU175 2.5 16.6 1.0
OE2 G:GLU97 2.5 17.6 1.0
O G:HOH375 2.5 21.3 1.0
OE1 G:GLU175 2.5 17.0 1.0
OE1 G:GLU97 2.8 19.0 1.0
CD G:GLU175 2.8 18.5 1.0
CD G:GLU97 2.9 22.0 1.0
C G:ILE91 3.5 13.0 1.0
CG G:ASN93 3.6 26.5 1.0
CB G:ILE91 4.2 14.7 1.0
CA G:ILE91 4.2 15.3 1.0
OH G:TYR66 4.3 17.6 1.0
N G:ILE91 4.3 15.2 1.0
N G:ASN93 4.3 17.3 1.0
CG G:GLU175 4.4 17.0 1.0
CB G:ASN93 4.4 21.7 1.0
CG G:GLU97 4.4 17.7 1.0
N G:ILE92 4.5 15.0 1.0
O G:HOH311 4.5 29.5 1.0
O G:HOH379 4.6 29.6 1.0
O G:HOH386 4.6 22.2 1.0
ND2 G:ASN93 4.6 23.2 1.0
CG2 G:ILE91 4.6 18.4 1.0
O G:HOH341 4.7 28.7 1.0
CA G:ILE92 4.7 15.7 1.0
OG G:SER64 4.8 21.8 1.0
C G:ILE92 4.9 17.4 1.0

Calcium binding site 8 out of 8 in 9ks7

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Calcium binding site 8 out of 8 in the Crystal Structure of T. Rubripes Mincle with Glycerol


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 8 of Crystal Structure of T. Rubripes Mincle with Glycerol within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Ca203

b:16.2
occ:1.00
OD1 G:ASP163 2.3 14.3 1.0
OD1 G:ASN140 2.4 16.1 1.0
OD1 G:ASN162 2.4 15.8 1.0
O G:ASP163 2.5 14.1 1.0
OE1 G:GLU147 2.5 17.1 1.0
O1 G:GOL201 2.5 15.4 1.0
OE1 G:GLU138 2.5 15.7 1.0
O2 G:GOL201 2.6 20.0 1.0
CG G:ASP163 3.3 16.5 1.0
CD G:GLU138 3.4 19.6 1.0
CG G:ASN140 3.4 22.9 1.0
CG G:ASN162 3.4 14.8 1.0
C2 G:GOL201 3.4 21.2 1.0
C1 G:GOL201 3.4 17.0 1.0
CD G:GLU147 3.5 18.1 1.0
C G:ASP163 3.5 13.2 1.0
OE2 G:GLU138 3.7 18.7 1.0
N G:ASP163 3.8 12.9 1.0
ND2 G:ASN162 3.8 15.0 1.0
OE2 G:GLU147 3.9 18.6 1.0
ND2 G:ASN140 4.0 19.5 1.0
OD2 G:ASP163 4.0 19.1 1.0
CA G:ASP163 4.0 12.9 1.0
N G:ASN140 4.1 16.1 1.0
CB G:ASP163 4.2 12.7 1.0
CB G:TYR142 4.4 17.4 1.0
N G:TYR142 4.5 21.4 1.0
N G:ASN141 4.6 16.5 1.0
CB G:ASN140 4.6 17.5 1.0
C G:ASN162 4.6 13.1 1.0
CG G:GLU138 4.6 16.1 1.0
CB G:ASN162 4.7 13.7 1.0
N G:LEU164 4.7 13.9 1.0
CG G:GLU147 4.7 16.6 1.0
CA G:ASN140 4.7 18.5 1.0
CB G:GLU147 4.8 15.1 1.0
C3 G:GOL201 4.8 27.6 1.0
CA G:ASN162 4.9 13.7 1.0
C G:ASN140 4.9 17.8 1.0

Reference:

T.Ito, C.Guenther, E.Ishikawa, T.Yabuki, M.Nagae, Y.Nakatani, S.Yamasaki. Phylogenetic and Structural Insights Into the Origin of C-Type Lectin Mincle in Vertebrates. Immunogenetics V. 77 18 2025.
ISSN: ISSN 0093-7711
PubMed: 40119899
DOI: 10.1007/S00251-025-01375-X
Page generated: Thu Jul 10 10:12:53 2025

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