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Calcium in PDB 1kx0: Rat Mannose Protein A (H189V I207V) Complexed with Man-A13-Man

Protein crystallography data

The structure of Rat Mannose Protein A (H189V I207V) Complexed with Man-A13-Man, PDB code: 1kx0 was solved by K.K.Ng, A.R.Kolatkar, S.Park-Snyder, H.Feinberg, D.A.Clark, K.Drickamer, W.I.Weis, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 30.00 / 2.00
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 79.080, 85.110, 97.660, 90.00, 97.66, 90.00
R / Rfree (%) 20.1 / 23.2

Other elements in 1kx0:

The structure of Rat Mannose Protein A (H189V I207V) Complexed with Man-A13-Man also contains other interesting chemical elements:

Chlorine (Cl) 3 atoms

Calcium Binding Sites:

The binding sites of Calcium atom in the Rat Mannose Protein A (H189V I207V) Complexed with Man-A13-Man (pdb code 1kx0). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 9 binding sites of Calcium where determined in the Rat Mannose Protein A (H189V I207V) Complexed with Man-A13-Man, PDB code: 1kx0:
Jump to Calcium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9;

Calcium binding site 1 out of 9 in 1kx0

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Calcium binding site 1 out of 9 in the Rat Mannose Protein A (H189V I207V) Complexed with Man-A13-Man


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Rat Mannose Protein A (H189V I207V) Complexed with Man-A13-Man within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca503

b:22.3
occ:1.00
OD2 A:ASP194 2.3 20.0 1.0
O A:GLU193 2.4 17.7 1.0
OD2 A:ASP161 2.4 21.7 1.0
O A:HOH594 2.4 20.1 1.0
OD2 A:ASP188 2.6 24.9 1.0
OE1 A:GLU165 2.6 21.6 1.0
OD1 A:ASP161 2.7 20.3 1.0
OE2 A:GLU165 2.7 18.5 1.0
CG A:ASP161 2.9 24.7 1.0
CD A:GLU165 3.0 19.8 1.0
C A:GLU193 3.3 20.4 1.0
CG A:ASP188 3.4 26.8 1.0
CG A:ASP194 3.5 20.3 1.0
CA A:ASP194 3.7 20.1 1.0
N A:ASP194 3.9 19.6 1.0
CB A:ASP188 4.0 25.7 1.0
CA A:CA505 4.0 23.6 1.0
N A:GLU193 4.1 20.8 1.0
CB A:ASP194 4.2 19.1 1.0
OD1 A:ASP188 4.2 25.4 1.0
O A:HOH643 4.3 30.5 1.0
CA A:GLU193 4.4 20.8 1.0
CB A:ASP161 4.4 22.1 1.0
OD1 A:ASP194 4.5 19.3 1.0
CA A:ASP188 4.5 24.4 1.0
CG A:GLU165 4.5 20.5 1.0
CZ A:PHE168 4.6 20.8 1.0
N A:GLY166 4.6 22.8 1.0
O A:HOH563 4.7 22.6 1.0
OD1 A:ASP206 4.7 17.0 1.0
O A:ASP161 4.7 21.1 1.0
O A:HOH519 4.9 19.7 1.0
C A:ASP194 4.9 20.7 1.0

Calcium binding site 2 out of 9 in 1kx0

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Calcium binding site 2 out of 9 in the Rat Mannose Protein A (H189V I207V) Complexed with Man-A13-Man


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Rat Mannose Protein A (H189V I207V) Complexed with Man-A13-Man within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca504

b:24.2
occ:1.00
OD2 A:ASP206 2.3 18.5 1.0
OD1 A:ASN205 2.4 19.1 1.0
OE2 A:GLU193 2.5 24.3 1.0
O3 A:MAN502 2.5 23.3 0.5
OD1 A:ASN187 2.5 20.4 1.0
O A:ASP206 2.5 19.1 1.0
O4 A:MAN502 2.6 23.4 0.5
O3 A:MAN502 2.6 26.9 0.5
OE2 A:GLU185 2.7 20.2 1.0
O4 A:MAN502 2.7 26.2 0.5
C3 A:MAN502 3.3 24.2 0.5
CD A:GLU193 3.3 22.2 1.0
CG A:ASP206 3.4 20.8 1.0
C4 A:MAN502 3.4 24.4 0.5
C3 A:MAN502 3.4 26.8 0.5
CD A:GLU185 3.4 23.4 1.0
CG A:ASN205 3.4 21.9 1.0
CG A:ASN187 3.5 22.8 1.0
C4 A:MAN502 3.5 28.0 0.5
C A:ASP206 3.5 21.0 1.0
OE1 A:GLU193 3.6 23.6 1.0
OE1 A:GLU185 3.6 20.9 1.0
N A:ASP206 3.7 21.1 1.0
ND2 A:ASN205 3.9 20.1 1.0
ND2 A:ASN187 4.0 21.7 1.0
CA A:ASP206 4.0 20.3 1.0
OD1 A:ASP206 4.1 17.0 1.0
N A:ASN187 4.2 22.8 1.0
CB A:ASP206 4.3 19.1 1.0
C A:ASN205 4.5 20.9 1.0
CB A:ASN187 4.7 21.9 1.0
CG A:GLU193 4.7 22.3 1.0
N A:VAL207 4.7 22.1 1.0
CG A:GLU185 4.7 19.5 1.0
C2 A:MAN502 4.7 25.6 0.5
CB A:ASN205 4.7 20.2 1.0
CB A:VAL189 4.7 28.4 1.0
C5 A:MAN502 4.8 26.1 0.5
N A:ASP188 4.8 25.2 1.0
C2 A:MAN502 4.8 28.0 0.5
CA A:ASN187 4.8 23.8 1.0
CA A:ASN205 4.9 20.0 1.0
C5 A:MAN502 4.9 29.6 0.5
N A:VAL189 4.9 24.9 1.0
CB A:GLU193 4.9 20.4 1.0

Calcium binding site 3 out of 9 in 1kx0

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Calcium binding site 3 out of 9 in the Rat Mannose Protein A (H189V I207V) Complexed with Man-A13-Man


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Rat Mannose Protein A (H189V I207V) Complexed with Man-A13-Man within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca505

b:23.6
occ:1.00
O A:HOH643 2.3 30.5 1.0
OE1 A:GLU165 2.3 21.6 1.0
OD1 A:ASP194 2.5 19.3 1.0
OD2 A:ASP194 2.6 20.0 1.0
O A:HOH595 2.6 29.6 1.0
CG A:ASP194 2.9 20.3 1.0
CD A:GLU165 3.5 19.8 1.0
CA A:CA503 4.0 22.3 1.0
CB A:GLU165 4.0 20.1 1.0
CG A:GLU165 4.2 20.5 1.0
O A:ASP161 4.3 21.1 1.0
O A:HOH557 4.3 23.6 1.0
CB A:ASP194 4.4 19.1 1.0
OD2 A:ASP188 4.4 24.9 1.0
CA A:GLU165 4.4 21.1 1.0
OE2 A:GLU165 4.5 18.5 1.0
O A:HOH537 4.5 30.0 1.0
O A:HOH555 4.6 36.2 1.0
O A:HOH633 4.6 42.8 1.0
OD2 A:ASP161 4.8 21.7 1.0
OD1 A:ASP161 5.0 20.3 1.0
N A:GLU165 5.0 19.7 1.0

Calcium binding site 4 out of 9 in 1kx0

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Calcium binding site 4 out of 9 in the Rat Mannose Protein A (H189V I207V) Complexed with Man-A13-Man


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Rat Mannose Protein A (H189V I207V) Complexed with Man-A13-Man within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca603

b:24.3
occ:1.00
O B:HOH714 2.3 24.1 1.0
OD2 B:ASP161 2.4 22.6 1.0
OD2 B:ASP194 2.4 22.6 1.0
O B:GLU193 2.5 23.5 1.0
OE1 B:GLU165 2.5 23.6 1.0
OE2 B:GLU165 2.6 21.9 1.0
OD2 B:ASP188 2.6 32.7 1.0
OD1 B:ASP161 2.7 21.9 1.0
CG B:ASP161 2.9 23.5 1.0
CD B:GLU165 2.9 24.4 1.0
C B:GLU193 3.3 25.0 1.0
CG B:ASP188 3.3 34.0 1.0
CG B:ASP194 3.6 23.1 1.0
CA B:ASP194 3.7 23.7 1.0
CA B:CA605 3.8 25.5 1.0
N B:ASP194 3.9 23.2 1.0
CB B:ASP188 4.0 33.0 1.0
O B:HOH662 4.0 30.3 1.0
OD1 B:ASP188 4.1 34.7 1.0
O B:HOH617 4.2 28.2 1.0
CB B:ASP194 4.2 22.8 1.0
N B:GLU193 4.3 28.7 1.0
CA B:GLU193 4.4 26.7 1.0
CB B:ASP161 4.4 20.9 1.0
CG B:GLU165 4.4 24.8 1.0
CA B:ASP188 4.5 33.1 1.0
OD1 B:ASP206 4.5 25.9 1.0
OD1 B:ASP194 4.5 25.4 1.0
CZ B:PHE168 4.6 23.6 1.0
N B:GLY166 4.7 22.0 1.0
O B:ASP161 4.8 25.2 1.0
C B:ASP194 4.9 24.3 1.0
CA B:GLU165 5.0 22.6 1.0

Calcium binding site 5 out of 9 in 1kx0

Go back to Calcium Binding Sites List in 1kx0
Calcium binding site 5 out of 9 in the Rat Mannose Protein A (H189V I207V) Complexed with Man-A13-Man


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 of Rat Mannose Protein A (H189V I207V) Complexed with Man-A13-Man within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca604

b:29.9
occ:1.00
OD2 B:ASP206 2.3 24.2 1.0
OE2 B:GLU193 2.3 30.9 1.0
OE2 B:GLU185 2.4 30.6 1.0
OD1 B:ASN187 2.5 32.4 1.0
OD1 B:ASN205 2.5 27.3 1.0
O B:ASP206 2.6 24.6 1.0
O3 B:MAN602 2.6 41.9 1.0
O4 B:MAN602 2.6 42.5 1.0
CD B:GLU185 3.3 32.3 1.0
CG B:ASP206 3.3 26.1 1.0
C3 B:MAN602 3.4 44.0 1.0
CD B:GLU193 3.4 28.7 1.0
C4 B:MAN602 3.4 44.9 1.0
CG B:ASN205 3.5 28.8 1.0
CG B:ASN187 3.5 33.6 1.0
C B:ASP206 3.6 25.9 1.0
OE1 B:GLU185 3.6 31.5 1.0
N B:ASP206 3.7 26.0 1.0
OE1 B:GLU193 3.8 29.4 1.0
ND2 B:ASN205 3.9 29.2 1.0
ND2 B:ASN187 4.0 32.6 1.0
OD1 B:ASP206 4.1 25.9 1.0
CA B:ASP206 4.1 25.9 1.0
N B:ASN187 4.2 30.7 1.0
CG2 B:VAL189 4.2 41.2 1.0
CB B:ASP206 4.3 25.4 1.0
C B:ASN205 4.5 27.4 1.0
CG B:GLU185 4.6 31.3 1.0
CG B:GLU193 4.7 25.8 1.0
CB B:ASN187 4.7 31.7 1.0
N B:VAL207 4.7 25.3 1.0
CB B:ASN205 4.7 28.7 1.0
N B:ASP188 4.7 33.1 1.0
CB B:VAL189 4.7 40.8 1.0
C2 B:MAN602 4.8 45.2 1.0
C5 B:MAN602 4.8 45.5 1.0
CB B:GLU193 4.8 25.8 1.0
CA B:ASN205 4.8 28.4 1.0
CA B:ASN187 4.8 32.0 1.0
N B:VAL189 4.9 36.9 1.0

Calcium binding site 6 out of 9 in 1kx0

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Calcium binding site 6 out of 9 in the Rat Mannose Protein A (H189V I207V) Complexed with Man-A13-Man


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 6 of Rat Mannose Protein A (H189V I207V) Complexed with Man-A13-Man within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca605

b:25.5
occ:1.00
O B:HOH608 2.3 20.7 1.0
OE1 B:GLU165 2.3 23.6 1.0
O B:HOH662 2.4 30.3 1.0
O B:HOH663 2.5 35.9 1.0
OD2 B:ASP194 2.5 22.6 1.0
OD1 B:ASP194 2.6 25.4 1.0
O B:HOH636 2.7 29.5 1.0
CG B:ASP194 2.9 23.1 1.0
CD B:GLU165 3.5 24.4 1.0
CA B:CA603 3.8 24.3 1.0
O B:ASP161 4.1 25.2 1.0
OD2 B:ASP188 4.2 32.7 1.0
CB B:GLU165 4.2 21.6 1.0
CG B:GLU165 4.3 24.8 1.0
CB B:ASP194 4.4 22.8 1.0
OD1 B:ASP188 4.4 34.7 1.0
OE2 B:GLU165 4.5 21.9 1.0
CA B:GLU165 4.5 22.6 1.0
OD2 B:ASP161 4.6 22.6 1.0
O B:HOH686 4.6 39.0 1.0
O B:HOH697 4.6 49.0 1.0
O B:HOH721 4.6 44.0 1.0
O B:HOH681 4.6 35.9 1.0
CG B:ASP188 4.7 34.0 1.0
O B:HOH651 4.7 38.6 1.0
OD1 B:ASP161 4.8 21.9 1.0
CG B:ASP161 4.9 23.5 1.0

Calcium binding site 7 out of 9 in 1kx0

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Calcium binding site 7 out of 9 in the Rat Mannose Protein A (H189V I207V) Complexed with Man-A13-Man


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 7 of Rat Mannose Protein A (H189V I207V) Complexed with Man-A13-Man within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Ca703

b:40.7
occ:1.00
O C:GLU193 2.3 38.4 1.0
OD2 C:ASP194 2.4 31.7 1.0
OD2 C:ASP188 2.4 44.0 1.0
OE1 C:GLU165 2.4 45.2 1.0
O C:HOH707 2.5 25.3 1.0
OD2 C:ASP161 2.5 47.4 1.0
OE2 C:GLU165 2.6 47.1 1.0
CD C:GLU165 2.8 46.5 1.0
OD1 C:ASP161 2.9 49.5 1.0
CG C:ASP161 3.1 48.2 1.0
C C:GLU193 3.2 40.2 1.0
CG C:ASP188 3.4 47.4 1.0
CG C:ASP194 3.5 36.8 1.0
CA C:ASP194 3.7 37.8 1.0
CB C:ASP188 3.7 46.8 1.0
N C:ASP194 3.8 39.1 1.0
O C:HOH720 3.9 39.0 1.0
CA C:CA705 4.1 42.7 1.0
CB C:ASP194 4.1 36.7 1.0
N C:GLU193 4.2 42.2 1.0
CA C:GLU193 4.3 41.4 1.0
CG C:GLU165 4.3 47.0 1.0
CZ C:PHE168 4.4 48.1 1.0
CA C:ASP188 4.4 47.0 1.0
OD1 C:ASP206 4.5 41.4 1.0
OD1 C:ASP194 4.5 37.4 1.0
OD1 C:ASP188 4.5 48.1 1.0
CB C:ASP161 4.6 47.3 1.0
N C:GLY166 4.8 46.9 1.0
O C:HOH756 4.8 53.5 1.0
O C:ASP161 4.9 46.5 1.0
C C:ASP194 4.9 38.1 1.0
CE1 C:PHE168 4.9 47.7 1.0
CB C:GLU193 4.9 41.5 1.0
CA C:GLU165 4.9 48.0 1.0
O C:HOH717 4.9 34.7 1.0

Calcium binding site 8 out of 9 in 1kx0

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Calcium binding site 8 out of 9 in the Rat Mannose Protein A (H189V I207V) Complexed with Man-A13-Man


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 8 of Rat Mannose Protein A (H189V I207V) Complexed with Man-A13-Man within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Ca704

b:44.0
occ:1.00
OD2 C:ASP206 2.2 40.5 1.0
O4 C:MAN702 2.4 87.2 0.5
O4 C:MAN702 2.4 82.9 0.5
OE2 C:GLU193 2.4 41.2 1.0
O3 C:MAN702 2.5 87.9 0.5
OD1 C:ASN187 2.5 43.0 1.0
O C:ASP206 2.6 40.7 1.0
OD1 C:ASN205 2.6 43.7 1.0
OE2 C:GLU185 2.7 56.1 1.0
O3 C:MAN702 2.9 82.7 0.5
C4 C:MAN702 3.2 87.8 0.5
C3 C:MAN702 3.2 88.1 0.5
CD C:GLU185 3.3 57.0 1.0
CG C:ASP206 3.3 42.4 1.0
C3 C:MAN702 3.4 82.9 0.5
C4 C:MAN702 3.4 83.1 0.5
CD C:GLU193 3.4 42.3 1.0
CG C:ASN205 3.5 45.0 1.0
OE1 C:GLU185 3.5 56.4 1.0
CG C:ASN187 3.6 46.8 1.0
C C:ASP206 3.6 42.0 1.0
OE1 C:GLU193 3.7 41.5 1.0
N C:ASP206 3.8 43.9 1.0
ND2 C:ASN205 3.8 44.4 1.0
OD1 C:ASP206 4.1 41.4 1.0
CA C:ASP206 4.1 42.8 1.0
ND2 C:ASN187 4.1 45.0 1.0
O C:HOH781 4.1 50.8 1.0
N C:ASN187 4.2 50.0 1.0
CB C:ASP206 4.3 42.2 1.0
C C:ASN205 4.6 45.2 1.0
CG1 C:VAL189 4.6 46.6 1.0
C5 C:MAN702 4.6 88.0 0.5
CG C:GLU185 4.6 55.8 1.0
C2 C:MAN702 4.6 88.3 0.5
C5 C:MAN702 4.6 83.0 0.5
N C:ASP188 4.7 45.8 1.0
CG C:GLU193 4.7 40.3 1.0
CB C:ASN205 4.8 44.7 1.0
CB C:ASN187 4.8 47.6 1.0
N C:VAL207 4.8 40.4 1.0
C2 C:MAN702 4.9 83.1 0.5
CB C:GLU193 4.9 41.5 1.0
CA C:ASN205 4.9 45.1 1.0
CA C:PRO186 4.9 53.4 1.0
CA C:ASN187 5.0 47.6 1.0
O2 C:MAN702 5.0 88.3 0.5
N C:VAL189 5.0 47.3 1.0

Calcium binding site 9 out of 9 in 1kx0

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Calcium binding site 9 out of 9 in the Rat Mannose Protein A (H189V I207V) Complexed with Man-A13-Man


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 9 of Rat Mannose Protein A (H189V I207V) Complexed with Man-A13-Man within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Ca705

b:42.7
occ:1.00
O C:HOH762 2.3 33.4 1.0
O C:HOH739 2.5 34.1 1.0
O C:HOH720 2.5 39.0 1.0
OE1 C:GLU165 2.5 45.2 1.0
OD1 C:ASP194 2.6 37.4 1.0
OD2 C:ASP194 2.7 31.7 1.0
CG C:ASP194 3.0 36.8 1.0
CD C:GLU165 3.7 46.5 1.0
CB C:GLU165 4.0 47.3 1.0
OD2 C:ASP188 4.1 44.0 1.0
CA C:CA703 4.1 40.7 1.0
CG C:GLU165 4.2 47.0 1.0
O C:ASP161 4.4 46.5 1.0
O C:HOH726 4.4 32.7 1.0
CA C:GLU165 4.4 48.0 1.0
CB C:ASP194 4.5 36.7 1.0
O C:HOH750 4.7 37.4 1.0
OE2 C:GLU165 4.7 47.1 1.0
N C:GLU165 4.9 48.0 1.0
OD2 C:ASP161 4.9 47.4 1.0

Reference:

K.K.Ng, A.R.Kolatkar, S.Park-Snyder, H.Feinberg, D.A.Clark, K.Drickamer, W.I.Weis. Orientation of Bound Ligands in Mannose-Binding Proteins. Implications For Multivalent Ligand Recognition. J.Biol.Chem. V. 277 16088 2002.
ISSN: ISSN 0021-9258
PubMed: 11850428
DOI: 10.1074/JBC.M200493200
Page generated: Thu Jul 11 11:37:08 2024

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