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Calcium in PDB 1uzv: High Affinity Fucose Binding of Pseudomonas Aeruginosa Lectin II: 1.0 A Crystal Structure of the Complex

Protein crystallography data

The structure of High Affinity Fucose Binding of Pseudomonas Aeruginosa Lectin II: 1.0 A Crystal Structure of the Complex, PDB code: 1uzv was solved by E.Mitchell, C.D.Sabin, L.Snajdrova, M.Budova, S.Perret, C.Gautier, N.Gilboa-Garber, J.Koca, M.Wimmerova, A.Imberty, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 30.00 / 1.00
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 52.735, 72.827, 54.747, 90.00, 94.21, 90.00
R / Rfree (%) 11.5 / 13.5

Calcium Binding Sites:

The binding sites of Calcium atom in the High Affinity Fucose Binding of Pseudomonas Aeruginosa Lectin II: 1.0 A Crystal Structure of the Complex (pdb code 1uzv). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 8 binding sites of Calcium where determined in the High Affinity Fucose Binding of Pseudomonas Aeruginosa Lectin II: 1.0 A Crystal Structure of the Complex, PDB code: 1uzv:
Jump to Calcium binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Calcium binding site 1 out of 8 in 1uzv

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Calcium binding site 1 out of 8 in the High Affinity Fucose Binding of Pseudomonas Aeruginosa Lectin II: 1.0 A Crystal Structure of the Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of High Affinity Fucose Binding of Pseudomonas Aeruginosa Lectin II: 1.0 A Crystal Structure of the Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca997

b:7.0
occ:1.00
 OD1 A:ASP99 2.4 10.9 1.0
OD1 A:ASP101 2.4 8.4 1.0
OE2 A:GLU95 2.4 8.3 1.0
OD2 A:ASP104 2.4 7.3 1.0
OE1 A:GLU95 2.5 8.1 1.0
O3 A:FUC999 2.5 7.5 1.0
O2 A:FUC999 2.5 8.0 1.0
OD1 A:ASP104 2.6 6.8 1.0
CD A:GLU95 2.8 7.4 1.0
CG A:ASP104 2.9 6.0 1.0
C2 A:FUC999 3.3 7.6 1.0
CG A:ASP99 3.3 9.9 1.0
C3 A:FUC999 3.4 7.5 1.0
CG A:ASP101 3.4 7.8 1.0
OD2 A:ASP99 3.7 11.5 1.0
CA A:CA998 3.7 6.4 1.0
OD2 A:ASP101 4.0 8.1 1.0
O A:HOH2171 4.1 18.1 1.0
N A:ASP101 4.1 9.6 1.0
OD1 A:ASP96 4.2 9.8 1.0
CG A:GLU95 4.3 8.4 1.0
CB A:ASP104 4.4 6.3 1.0
N A:TYR102 4.5 7.8 1.0
N A:ASP96 4.5 7.2 1.0
CB A:ASP101 4.5 8.9 1.0
N A:ASN100 4.5 11.1 1.0
N A:GLY97 4.6 9.3 1.0
CB A:ASP99 4.7 12.0 1.0
CA A:ASP101 4.7 8.9 1.0
C4 A:FUC999 4.7 7.6 1.0
CA A:GLU95 4.7 7.0 1.0
C1 A:FUC999 4.8 8.3 1.0
N A:ASP99 4.8 11.2 1.0
OD1 A:ASN103 4.8 6.5 1.0
O4 A:FUC999 4.8 7.2 1.0
CB A:GLU95 4.9 8.0 1.0
CA A:GLY97 5.0 11.3 1.0
CG A:ASP96 5.0 8.0 1.0
C A:ASP101 5.0 8.4 1.0

Calcium binding site 2 out of 8 in 1uzv

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Calcium binding site 2 out of 8 in the High Affinity Fucose Binding of Pseudomonas Aeruginosa Lectin II: 1.0 A Crystal Structure of the Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of High Affinity Fucose Binding of Pseudomonas Aeruginosa Lectin II: 1.0 A Crystal Structure of the Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca998

b:6.4
occ:1.00
 OD1 A:ASN103 2.3 6.5 1.0
OD1 A:ASP104 2.3 6.8 1.0
O A:ASN21 2.4 6.5 1.0
OD2 A:ASP101 2.4 8.1 1.0
O B:GLY114 2.4 8.1 1.0
O3 A:FUC999 2.5 7.5 1.0
O4 A:FUC999 2.5 7.2 1.0
OD1 A:ASP101 3.0 8.4 1.0
CG A:ASP101 3.1 7.8 1.0
C3 A:FUC999 3.4 7.5 1.0
CG A:ASN103 3.4 6.2 1.0
C B:GLY114 3.4 8.7 1.0
C4 A:FUC999 3.4 7.6 1.0
C A:ASN21 3.6 5.9 1.0
CG A:ASP104 3.6 6.0 1.0
CA A:CA997 3.7 7.0 1.0
OXT B:GLY114 3.7 11.2 1.0
ND2 A:ASN103 3.7 8.5 1.0
C2 A:FUC999 3.8 7.6 1.0
CB A:ASN21 4.1 6.4 1.0
CA A:ASP104 4.2 5.8 1.0
N A:ASP104 4.3 5.8 1.0
O2 A:FUC999 4.4 8.0 1.0
OD2 A:ASP104 4.4 7.3 1.0
CA A:SER22 4.4 6.6 1.0
N A:SER22 4.4 6.3 1.0
CB A:ASP104 4.5 6.3 1.0
C A:ASN103 4.5 5.7 1.0
OD2 A:ASP99 4.5 11.5 1.0
O A:HOH2179 4.5 20.4 1.0
CB A:ASP101 4.5 8.9 1.0
CA A:ASN21 4.5 6.1 1.0
CB A:SER22 4.7 7.7 1.0
CB A:ASN103 4.7 6.6 1.0
C5 A:FUC999 4.8 8.0 1.0
O A:ASN103 4.8 6.2 1.0
CA B:GLY114 4.8 9.5 1.0
N A:ASN103 4.9 6.5 1.0
CA A:ASN103 4.9 6.2 1.0
OD1 A:ASP99 5.0 10.9 1.0

Calcium binding site 3 out of 8 in 1uzv

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Calcium binding site 3 out of 8 in the High Affinity Fucose Binding of Pseudomonas Aeruginosa Lectin II: 1.0 A Crystal Structure of the Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of High Affinity Fucose Binding of Pseudomonas Aeruginosa Lectin II: 1.0 A Crystal Structure of the Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca997

b:6.6
occ:1.00
 OD1 B:ASP99 2.4 9.7 1.0
OD1 B:ASP101 2.4 7.4 1.0
OD2 B:ASP104 2.4 6.9 1.0
OE2 B:GLU95 2.4 7.5 1.0
OE1 B:GLU95 2.5 6.7 1.0
O3 B:FUC999 2.5 7.5 1.0
O2 B:FUC999 2.5 8.2 1.0
OD1 B:ASP104 2.6 6.7 1.0
CD B:GLU95 2.8 6.3 1.0
CG B:ASP104 2.9 6.2 1.0
C2 B:FUC999 3.3 8.3 1.0
CG B:ASP99 3.4 9.3 1.0
C3 B:FUC999 3.4 8.1 1.0
CG B:ASP101 3.4 7.3 1.0
OD2 B:ASP99 3.7 10.7 1.0
CA B:CA998 3.7 6.5 1.0
OD2 B:ASP101 4.0 7.9 1.0
O B:HOH2157 4.1 14.4 1.0
N B:ASP101 4.1 7.8 1.0
OD1 B:ASP96 4.2 9.7 1.0
CG B:GLU95 4.3 7.0 1.0
CB B:ASP104 4.4 6.1 1.0
N B:TYR102 4.5 6.6 1.0
N B:ASN100 4.5 8.6 1.0
CB B:ASP101 4.5 7.9 1.0
N B:ASP96 4.6 6.8 1.0
N B:GLY97 4.6 8.4 1.0
CA B:GLU95 4.7 6.2 1.0
C4 B:FUC999 4.7 8.2 1.0
CB B:ASP99 4.7 10.9 1.0
CA B:ASP101 4.7 8.0 1.0
C1 B:FUC999 4.7 9.4 1.0
OD1 B:ASN103 4.8 6.3 1.0
N B:ASP99 4.8 9.8 1.0
O4 B:FUC999 4.8 8.2 1.0
CB B:GLU95 4.9 6.6 1.0
CG B:ASP96 5.0 8.2 1.0
CA B:GLY97 5.0 9.5 1.0
C B:ASP101 5.0 7.4 1.0

Calcium binding site 4 out of 8 in 1uzv

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Calcium binding site 4 out of 8 in the High Affinity Fucose Binding of Pseudomonas Aeruginosa Lectin II: 1.0 A Crystal Structure of the Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of High Affinity Fucose Binding of Pseudomonas Aeruginosa Lectin II: 1.0 A Crystal Structure of the Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca998

b:6.5
occ:1.00
 OD1 B:ASN103 2.3 6.3 1.0
OD1 B:ASP104 2.4 6.7 1.0
O B:ASN21 2.4 7.0 1.0
OD2 B:ASP101 2.4 7.9 1.0
O A:GLY114 2.4 8.2 1.0
O3 B:FUC999 2.5 7.5 1.0
O4 B:FUC999 2.5 8.2 1.0
OD1 B:ASP101 3.0 7.4 1.0
CG B:ASP101 3.0 7.3 1.0
C3 B:FUC999 3.4 8.1 1.0
CG B:ASN103 3.4 6.3 1.0
C A:GLY114 3.4 8.3 1.0
C4 B:FUC999 3.4 8.2 1.0
CG B:ASP104 3.6 6.2 1.0
C B:ASN21 3.6 6.2 1.0
OXT A:GLY114 3.7 11.6 1.0
CA B:CA997 3.7 6.6 1.0
ND2 B:ASN103 3.8 8.3 1.0
C2 B:FUC999 3.8 8.3 1.0
CB B:ASN21 4.2 6.4 1.0
CA B:ASP104 4.2 5.8 1.0
N B:ASP104 4.3 5.5 1.0
N B:SER22 4.4 7.0 1.0
CA B:SER22 4.4 7.7 1.0
OD2 B:ASP104 4.4 6.9 1.0
O2 B:FUC999 4.4 8.2 1.0
O B:HOH2164 4.5 21.1 1.0
C B:ASN103 4.5 5.8 1.0
CB B:ASP104 4.5 6.1 1.0
CB B:ASP101 4.5 7.9 1.0
CA B:ASN21 4.6 6.0 1.0
OD2 B:ASP99 4.6 10.7 1.0
CB B:SER22 4.7 8.5 1.0
CB B:ASN103 4.7 6.3 1.0
CA A:GLY114 4.8 9.5 1.0
C5 B:FUC999 4.8 9.6 1.0
O B:ASN103 4.8 6.1 1.0
N B:ASN103 4.9 5.8 1.0
CA B:ASN103 4.9 5.7 1.0

Calcium binding site 5 out of 8 in 1uzv

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Calcium binding site 5 out of 8 in the High Affinity Fucose Binding of Pseudomonas Aeruginosa Lectin II: 1.0 A Crystal Structure of the Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 of High Affinity Fucose Binding of Pseudomonas Aeruginosa Lectin II: 1.0 A Crystal Structure of the Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Ca997

b:8.5
occ:1.00
 OD1 C:ASP99 2.4 12.7 1.0
OD1 C:ASP101 2.4 9.5 1.0
OD2 C:ASP104 2.4 8.1 1.0
OE2 C:GLU95 2.4 9.1 1.0
OE1 C:GLU95 2.5 9.0 1.0
O3 C:FUC999 2.5 9.4 1.0
O2 C:FUC999 2.5 9.5 1.0
OD1 C:ASP104 2.6 7.5 1.0
CD C:GLU95 2.8 8.7 1.0
CG C:ASP104 2.9 6.7 1.0
C2 C:FUC999 3.3 9.5 1.0
C3 C:FUC999 3.3 9.7 1.0
CG C:ASP99 3.4 11.5 1.0
CG C:ASP101 3.4 9.8 1.0
OD2 C:ASP99 3.7 12.3 1.0
CA C:CA998 3.7 7.6 1.0
OD2 C:ASP101 4.0 9.7 1.0
N C:ASP101 4.1 12.3 1.0
O C:HOH2126 4.2 18.7 1.0
OD1 C:ASP96 4.2 11.1 1.0
CG C:GLU95 4.3 9.2 1.0
CB C:ASP104 4.4 6.6 1.0
N C:TYR102 4.4 8.7 1.0
N C:ASN100 4.5 13.7 1.0
CB C:ASP101 4.5 11.5 1.0
N C:ASP96 4.6 7.9 1.0
N C:GLY97 4.6 9.9 1.0
CA C:ASP101 4.7 11.4 1.0
CB C:ASP99 4.7 14.7 1.0
C4 C:FUC999 4.7 10.1 1.0
CA C:GLU95 4.7 7.8 1.0
C1 C:FUC999 4.7 10.9 1.0
OD1 C:ASN103 4.7 7.5 1.0
N C:ASP99 4.8 14.2 1.0
O4 C:FUC999 4.8 9.3 1.0
CB C:GLU95 4.9 8.7 1.0
CG C:ASP96 5.0 9.0 1.0
C C:ASP101 5.0 10.6 1.0

Calcium binding site 6 out of 8 in 1uzv

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Calcium binding site 6 out of 8 in the High Affinity Fucose Binding of Pseudomonas Aeruginosa Lectin II: 1.0 A Crystal Structure of the Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 6 of High Affinity Fucose Binding of Pseudomonas Aeruginosa Lectin II: 1.0 A Crystal Structure of the Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Ca998

b:7.6
occ:1.00
 OD1 C:ASN103 2.3 7.5 1.0
OD1 C:ASP104 2.4 7.5 1.0
O C:ASN21 2.4 7.2 1.0
OD2 C:ASP101 2.4 9.7 1.0
O D:GLY114 2.4 9.4 1.0
O4 C:FUC999 2.5 9.3 1.0
O3 C:FUC999 2.5 9.4 1.0
OD1 C:ASP101 3.0 9.5 1.0
CG C:ASP101 3.1 9.8 1.0
C3 C:FUC999 3.4 9.7 1.0
CG C:ASN103 3.4 7.1 1.0
C D:GLY114 3.4 9.9 1.0
C4 C:FUC999 3.4 10.1 1.0
CG C:ASP104 3.6 6.7 1.0
C C:ASN21 3.6 7.1 1.0
OXT D:GLY114 3.7 12.7 1.0
CA C:CA997 3.7 8.5 1.0
ND2 C:ASN103 3.8 8.5 1.0
C2 C:FUC999 3.8 9.5 1.0
CB C:ASN21 4.2 6.9 1.0
CA C:ASP104 4.2 6.3 1.0
N C:ASP104 4.3 6.7 1.0
CA C:SER22 4.4 7.9 1.0
N C:SER22 4.4 7.3 1.0
OD2 C:ASP104 4.5 8.1 1.0
C C:ASN103 4.5 6.4 1.0
O2 C:FUC999 4.5 9.5 1.0
CB C:ASP104 4.5 6.6 1.0
O C:HOH2131 4.5 19.9 1.0
OD2 C:ASP99 4.5 12.3 1.0
CB C:ASP101 4.5 11.5 1.0
CA C:ASN21 4.6 6.8 1.0
CB C:SER22 4.7 8.7 1.0
CB C:ASN103 4.7 7.5 1.0
O C:ASN103 4.8 6.7 1.0
C5 C:FUC999 4.8 11.0 1.0
CA D:GLY114 4.8 10.3 1.0
N C:ASN103 4.9 7.1 1.0
CA C:ASN103 4.9 6.7 1.0
OD1 C:ASP99 5.0 12.7 1.0

Calcium binding site 7 out of 8 in 1uzv

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Calcium binding site 7 out of 8 in the High Affinity Fucose Binding of Pseudomonas Aeruginosa Lectin II: 1.0 A Crystal Structure of the Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 7 of High Affinity Fucose Binding of Pseudomonas Aeruginosa Lectin II: 1.0 A Crystal Structure of the Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Ca997

b:6.8
occ:1.00
 OD1 D:ASP101 2.4 7.8 1.0
OD1 D:ASP99 2.4 9.5 1.0
OD2 D:ASP104 2.4 7.3 1.0
OE2 D:GLU95 2.4 7.6 1.0
OE1 D:GLU95 2.5 7.3 1.0
O3 D:FUC999 2.5 7.7 1.0
O2 D:FUC999 2.5 8.4 1.0
OD1 D:ASP104 2.6 6.9 1.0
CD D:GLU95 2.8 7.1 1.0
CG D:ASP104 2.9 6.2 1.0
C2 D:FUC999 3.3 8.0 1.0
C3 D:FUC999 3.4 7.9 1.0
CG D:ASP99 3.4 9.1 1.0
CG D:ASP101 3.4 7.6 1.0
CA D:CA998 3.7 6.4 1.0
OD2 D:ASP99 3.7 9.5 1.0
OD2 D:ASP101 4.0 7.8 1.0
O D:HOH2171 4.1 13.9 1.0
N D:ASP101 4.1 9.1 1.0
OD1 D:ASP96 4.2 10.5 1.0
CG D:GLU95 4.3 7.8 1.0
CB D:ASP104 4.4 6.3 1.0
N D:TYR102 4.4 7.0 1.0
N D:ASN100 4.5 9.8 1.0
CB D:ASP101 4.5 8.6 1.0
N D:ASP96 4.5 7.6 1.0
N D:GLY97 4.6 9.2 1.0
C4 D:FUC999 4.7 8.2 1.0
CA D:ASP101 4.7 8.5 1.0
CB D:ASP99 4.7 9.6 1.0
CA D:GLU95 4.7 7.1 1.0
C1 D:FUC999 4.7 9.3 1.0
N D:ASP99 4.7 10.0 1.0
OD1 D:ASN103 4.7 6.6 1.0
O4 D:FUC999 4.8 8.0 1.0
CB D:GLU95 4.9 7.8 1.0
C D:ASP101 5.0 7.8 1.0
CA D:GLY97 5.0 11.0 1.0
C D:ASP99 5.0 10.0 1.0

Calcium binding site 8 out of 8 in 1uzv

Go back to Calcium Binding Sites List in 1uzv
Calcium binding site 8 out of 8 in the High Affinity Fucose Binding of Pseudomonas Aeruginosa Lectin II: 1.0 A Crystal Structure of the Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 8 of High Affinity Fucose Binding of Pseudomonas Aeruginosa Lectin II: 1.0 A Crystal Structure of the Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Ca998

b:6.4
occ:1.00
 OD1 D:ASN103 2.3 6.6 1.0
OD1 D:ASP104 2.3 6.9 1.0
O D:ASN21 2.4 6.9 1.0
O C:GLY114 2.4 8.6 1.0
OD2 D:ASP101 2.4 7.8 1.0
O3 D:FUC999 2.5 7.7 1.0
O4 D:FUC999 2.5 8.0 1.0
OD1 D:ASP101 3.0 7.8 1.0
CG D:ASP101 3.1 7.6 1.0
C3 D:FUC999 3.4 7.9 1.0
CG D:ASN103 3.4 6.2 1.0
C4 D:FUC999 3.4 8.2 1.0
C C:GLY114 3.4 8.8 1.0
CG D:ASP104 3.6 6.2 1.0
C D:ASN21 3.6 6.6 1.0
OXT C:GLY114 3.7 11.8 1.0
CA D:CA997 3.7 6.8 1.0
ND2 D:ASN103 3.8 7.9 1.0
C2 D:FUC999 3.8 8.0 1.0
CB D:ASN21 4.2 6.5 1.0
CA D:ASP104 4.2 6.0 1.0
N D:ASP104 4.3 6.3 1.0
O2 D:FUC999 4.4 8.4 1.0
OD2 D:ASP104 4.4 7.3 1.0
N D:SER22 4.4 7.0 1.0
CA D:SER22 4.4 7.5 1.0
O D:HOH2178 4.5 13.8 1.0
C D:ASN103 4.5 6.0 1.0
CB D:ASP104 4.5 6.3 1.0
CB D:ASP101 4.5 8.6 1.0
CA D:ASN21 4.6 6.2 1.0
OD2 D:ASP99 4.6 9.5 1.0
CB D:SER22 4.7 8.3 1.0
CB D:ASN103 4.7 6.3 1.0
O D:ASN103 4.8 6.6 1.0
C5 D:FUC999 4.8 9.5 1.0
CA C:GLY114 4.8 9.3 1.0
N D:ASN103 4.8 6.2 1.0
CA D:ASN103 4.9 6.1 1.0
OD1 D:ASP99 5.0 9.5 1.0

Reference:

E.P.Mitchell, C.Sabin, L.Snajdrova, M.Pokorna, S.Perret, C.Gautier, C.Hofr, N.Gilboa-Garber, J.Koca, M.Wimmerova, A.Imberty. High Affinity Fucose Binding of Pseudomonas Aeruginosa Lectin Pa-Iil: 1.0 A Resolution Crystal Structure of the Complex Combined with Thermodynamics and Computational Chemistry Approaches. Proteins V. 58 735 2005.
ISSN: ISSN 0887-3585
PubMed: 15573375
DOI: 10.1002/PROT.20330
Page generated: Thu Jul 11 23:46:31 2024

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