Calcium in PDB 2jdp: Mutant (S23A) of Pseudomonas Aeruginosa Lectin II (Pa-Iil) Complexed with Methyl-A-L-Fucopyranoside
Protein crystallography data
The structure of Mutant (S23A) of Pseudomonas Aeruginosa Lectin II (Pa-Iil) Complexed with Methyl-A-L-Fucopyranoside, PDB code: 2jdp
was solved by
J.Adam,
M.Pokorna,
C.Sabin,
E.P.Mitchell,
A.Imberty,
M.Wimmerova,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
|
Resolution Low / High (Å)
|
87.71 /
1.3
|
|
Space group
|
C 1 2 1
|
|
Cell size a, b, c (Å), α, β, γ (°)
|
95.062,
45.690,
87.952,
90.00,
94.21,
90.00
|
|
R / Rfree (%)
|
16.9 /
19.7
|
Calcium Binding Sites:
The binding sites of Calcium atom in the Mutant (S23A) of Pseudomonas Aeruginosa Lectin II (Pa-Iil) Complexed with Methyl-A-L-Fucopyranoside
(pdb code 2jdp). This binding sites where shown within
5.0 Angstroms radius around Calcium atom.
In total 8 binding sites of Calcium where determined in the
Mutant (S23A) of Pseudomonas Aeruginosa Lectin II (Pa-Iil) Complexed with Methyl-A-L-Fucopyranoside, PDB code: 2jdp:
Jump to Calcium binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
Calcium binding site 1 out
of 8 in 2jdp
Go back to
Calcium Binding Sites List in 2jdp
Calcium binding site 1 out
of 8 in the Mutant (S23A) of Pseudomonas Aeruginosa Lectin II (Pa-Iil) Complexed with Methyl-A-L-Fucopyranoside
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 1 of Mutant (S23A) of Pseudomonas Aeruginosa Lectin II (Pa-Iil) Complexed with Methyl-A-L-Fucopyranoside within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca1116
b:14.1
occ:0.70
|
O
|
A:ASN21
|
2.3
|
13.1
|
1.0
|
|
OD1
|
A:ASN103
|
2.3
|
17.3
|
1.0
|
|
O4
|
A:MFU1115
|
2.5
|
22.2
|
1.0
|
|
OD1
|
A:ASP104
|
2.5
|
12.9
|
1.0
|
|
O
|
B:GLY114
|
2.5
|
13.9
|
0.7
|
|
O3
|
A:MFU1115
|
2.5
|
24.9
|
1.0
|
|
OD2
|
A:ASP101
|
2.5
|
17.8
|
0.7
|
|
OD1
|
A:ASP101
|
3.1
|
17.0
|
0.7
|
|
CG
|
A:ASP101
|
3.2
|
18.1
|
0.7
|
|
C3
|
A:MFU1115
|
3.4
|
22.6
|
1.0
|
|
CG
|
A:ASN103
|
3.4
|
13.3
|
1.0
|
|
C4
|
A:MFU1115
|
3.5
|
23.1
|
1.0
|
|
C
|
B:GLY114
|
3.5
|
13.3
|
0.7
|
|
C
|
A:ASN21
|
3.5
|
12.6
|
1.0
|
|
OXT
|
B:GLY114
|
3.6
|
14.4
|
0.7
|
|
CG
|
A:ASP104
|
3.7
|
10.9
|
1.0
|
|
CA
|
A:CA1117
|
3.7
|
15.4
|
0.7
|
|
ND2
|
A:ASN103
|
3.8
|
12.2
|
1.0
|
|
C2
|
A:MFU1115
|
3.8
|
21.3
|
1.0
|
|
CA
|
A:ASP104
|
4.1
|
9.8
|
1.0
|
|
CB
|
A:ASN21
|
4.2
|
10.9
|
1.0
|
|
N
|
A:ASP104
|
4.2
|
9.0
|
1.0
|
|
CA
|
A:SER22
|
4.3
|
13.5
|
1.0
|
|
N
|
A:SER22
|
4.3
|
12.2
|
1.0
|
|
C
|
A:ASN103
|
4.4
|
10.2
|
1.0
|
|
O
|
A:HOH2140
|
4.5
|
27.4
|
1.0
|
|
OD2
|
A:ASP99
|
4.5
|
28.1
|
1.0
|
|
CA
|
A:ASN21
|
4.5
|
11.0
|
1.0
|
|
O2
|
A:MFU1115
|
4.5
|
20.8
|
1.0
|
|
CB
|
A:ASP104
|
4.5
|
9.6
|
1.0
|
|
OD2
|
A:ASP104
|
4.5
|
12.4
|
1.0
|
|
O
|
A:ASN103
|
4.6
|
9.8
|
1.0
|
|
CB
|
A:SER22
|
4.6
|
13.8
|
1.0
|
|
CB
|
A:ASP101
|
4.7
|
19.9
|
1.0
|
|
CB
|
A:ASN103
|
4.7
|
10.4
|
1.0
|
|
C5
|
A:MFU1115
|
4.8
|
23.4
|
1.0
|
|
CA
|
B:GLY114
|
4.8
|
12.7
|
1.0
|
|
CA
|
A:ASN103
|
4.9
|
10.1
|
1.0
|
|
N
|
A:ASN103
|
5.0
|
9.0
|
1.0
|
|
OD1
|
A:ASP99
|
5.0
|
26.8
|
1.0
|
|
O5
|
A:MFU1115
|
5.0
|
22.1
|
1.0
|
|
Calcium binding site 2 out
of 8 in 2jdp
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Calcium Binding Sites List in 2jdp
Calcium binding site 2 out
of 8 in the Mutant (S23A) of Pseudomonas Aeruginosa Lectin II (Pa-Iil) Complexed with Methyl-A-L-Fucopyranoside
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 2 of Mutant (S23A) of Pseudomonas Aeruginosa Lectin II (Pa-Iil) Complexed with Methyl-A-L-Fucopyranoside within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca1117
b:15.4
occ:0.70
|
OD1
|
A:ASP99
|
2.4
|
26.8
|
1.0
|
|
OD2
|
A:ASP104
|
2.4
|
12.4
|
1.0
|
|
O3
|
A:MFU1115
|
2.5
|
24.9
|
1.0
|
|
OD1
|
A:ASP101
|
2.5
|
17.0
|
0.7
|
|
OE2
|
A:GLU95
|
2.6
|
15.8
|
0.7
|
|
OD1
|
A:ASP104
|
2.6
|
12.9
|
1.0
|
|
O2
|
A:MFU1115
|
2.6
|
20.8
|
1.0
|
|
OE1
|
A:GLU95
|
2.7
|
14.0
|
0.7
|
|
CG
|
A:ASP104
|
2.9
|
10.9
|
1.0
|
|
CD
|
A:GLU95
|
2.9
|
13.7
|
0.7
|
|
C2
|
A:MFU1115
|
3.4
|
21.3
|
1.0
|
|
C3
|
A:MFU1115
|
3.4
|
22.6
|
1.0
|
|
CG
|
A:ASP99
|
3.4
|
28.0
|
1.0
|
|
CG
|
A:ASP101
|
3.5
|
18.1
|
0.7
|
|
CA
|
A:CA1116
|
3.7
|
14.1
|
0.7
|
|
OD2
|
A:ASP99
|
3.8
|
28.1
|
1.0
|
|
OD2
|
A:ASP101
|
4.0
|
17.8
|
0.7
|
|
O
|
A:HOH2148
|
4.1
|
34.2
|
1.0
|
|
N
|
A:ASP101
|
4.2
|
21.7
|
1.0
|
|
OD1
|
A:ASP96
|
4.3
|
19.0
|
1.0
|
|
CB
|
A:ASP104
|
4.3
|
9.6
|
1.0
|
|
CG
|
A:GLU95
|
4.4
|
13.2
|
1.0
|
|
N
|
A:ASN100
|
4.5
|
26.5
|
1.0
|
|
N
|
A:ASP96
|
4.6
|
12.3
|
1.0
|
|
OD1
|
A:ASN103
|
4.7
|
17.3
|
1.0
|
|
N
|
A:GLY97
|
4.7
|
19.8
|
1.0
|
|
C4
|
A:MFU1115
|
4.8
|
23.1
|
1.0
|
|
CB
|
A:ASP101
|
4.8
|
19.9
|
1.0
|
|
N
|
A:ASP99
|
4.8
|
27.6
|
1.0
|
|
CB
|
A:ASP99
|
4.8
|
28.1
|
1.0
|
|
N
|
A:TYR102
|
4.8
|
14.2
|
1.0
|
|
C1
|
A:MFU1115
|
4.8
|
23.6
|
1.0
|
|
CA
|
A:GLU95
|
4.8
|
10.6
|
1.0
|
|
O4
|
A:MFU1115
|
4.9
|
22.2
|
1.0
|
|
CA
|
A:ASP101
|
4.9
|
19.5
|
1.0
|
|
N
|
A:ASP104
|
4.9
|
9.0
|
1.0
|
|
CG
|
A:ASP96
|
5.0
|
18.0
|
1.0
|
|
Calcium binding site 3 out
of 8 in 2jdp
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Calcium Binding Sites List in 2jdp
Calcium binding site 3 out
of 8 in the Mutant (S23A) of Pseudomonas Aeruginosa Lectin II (Pa-Iil) Complexed with Methyl-A-L-Fucopyranoside
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 3 of Mutant (S23A) of Pseudomonas Aeruginosa Lectin II (Pa-Iil) Complexed with Methyl-A-L-Fucopyranoside within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Ca1116
b:10.3
occ:0.70
|
O4
|
B:MFU1115
|
2.3
|
14.4
|
1.0
|
|
OD1
|
B:ASN103
|
2.4
|
13.6
|
1.0
|
|
O
|
B:ASN21
|
2.4
|
8.6
|
1.0
|
|
O
|
A:GLY114
|
2.4
|
8.2
|
0.5
|
|
OD2
|
B:ASP101
|
2.4
|
14.5
|
0.7
|
|
OD1
|
B:ASP104
|
2.5
|
11.3
|
1.0
|
|
O3
|
B:MFU1115
|
2.5
|
16.6
|
1.0
|
|
OD1
|
B:ASP101
|
3.1
|
14.8
|
0.7
|
|
CG
|
B:ASP101
|
3.1
|
15.4
|
0.7
|
|
C4
|
B:MFU1115
|
3.3
|
17.7
|
1.0
|
|
C3
|
B:MFU1115
|
3.3
|
17.9
|
1.0
|
|
C
|
A:GLY114
|
3.4
|
8.2
|
0.5
|
|
CG
|
B:ASN103
|
3.4
|
11.8
|
1.0
|
|
C
|
B:ASN21
|
3.6
|
7.6
|
1.0
|
|
OXT
|
A:GLY114
|
3.6
|
8.6
|
0.5
|
|
CG
|
B:ASP104
|
3.7
|
8.9
|
1.0
|
|
CA
|
B:CA1117
|
3.7
|
12.5
|
0.7
|
|
ND2
|
B:ASN103
|
3.8
|
12.7
|
1.0
|
|
C2
|
B:MFU1115
|
3.8
|
17.9
|
1.0
|
|
CA
|
B:ASP104
|
4.2
|
6.5
|
1.0
|
|
N
|
B:ASP104
|
4.3
|
6.3
|
1.0
|
|
CB
|
B:ASN21
|
4.3
|
7.2
|
1.0
|
|
CA
|
B:SER22
|
4.3
|
8.3
|
1.0
|
|
O
|
B:HOH2139
|
4.4
|
22.5
|
1.0
|
|
N
|
B:SER22
|
4.4
|
7.8
|
1.0
|
|
OD2
|
B:ASP99
|
4.4
|
22.0
|
1.0
|
|
C
|
B:ASN103
|
4.4
|
6.9
|
1.0
|
|
O2
|
B:MFU1115
|
4.5
|
17.6
|
1.0
|
|
OD2
|
B:ASP104
|
4.5
|
11.4
|
1.0
|
|
CA
|
A:GLY114
|
4.5
|
11.7
|
0.5
|
|
CB
|
B:ASP104
|
4.6
|
7.4
|
1.0
|
|
CB
|
B:ASP101
|
4.6
|
17.0
|
1.0
|
|
CA
|
B:ASN21
|
4.6
|
7.1
|
1.0
|
|
CB
|
B:SER22
|
4.7
|
9.0
|
1.0
|
|
C5
|
B:MFU1115
|
4.7
|
18.6
|
1.0
|
|
O
|
B:ASN103
|
4.7
|
7.0
|
1.0
|
|
CB
|
B:ASN103
|
4.7
|
8.2
|
1.0
|
|
CA
|
A:GLY114
|
4.8
|
7.7
|
0.5
|
|
O
|
B:HOH2060
|
4.9
|
39.6
|
1.0
|
|
CA
|
B:ASN103
|
5.0
|
7.8
|
1.0
|
|
O5
|
B:MFU1115
|
5.0
|
17.1
|
1.0
|
|
Calcium binding site 4 out
of 8 in 2jdp
Go back to
Calcium Binding Sites List in 2jdp
Calcium binding site 4 out
of 8 in the Mutant (S23A) of Pseudomonas Aeruginosa Lectin II (Pa-Iil) Complexed with Methyl-A-L-Fucopyranoside
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 4 of Mutant (S23A) of Pseudomonas Aeruginosa Lectin II (Pa-Iil) Complexed with Methyl-A-L-Fucopyranoside within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Ca1117
b:12.5
occ:0.70
|
OD1
|
B:ASP99
|
2.3
|
21.8
|
1.0
|
|
O3
|
B:MFU1115
|
2.3
|
16.6
|
1.0
|
|
OD1
|
B:ASP101
|
2.4
|
14.8
|
0.7
|
|
OE2
|
B:GLU95
|
2.5
|
15.4
|
1.0
|
|
OD2
|
B:ASP104
|
2.5
|
11.4
|
1.0
|
|
O2
|
B:MFU1115
|
2.6
|
17.6
|
1.0
|
|
OE1
|
B:GLU95
|
2.6
|
16.6
|
1.0
|
|
OD1
|
B:ASP104
|
2.7
|
11.3
|
1.0
|
|
CD
|
B:GLU95
|
2.9
|
14.5
|
1.0
|
|
CG
|
B:ASP104
|
3.0
|
8.9
|
1.0
|
|
C3
|
B:MFU1115
|
3.3
|
17.9
|
1.0
|
|
C2
|
B:MFU1115
|
3.3
|
17.9
|
1.0
|
|
CG
|
B:ASP99
|
3.3
|
22.9
|
1.0
|
|
CG
|
B:ASP101
|
3.4
|
15.4
|
0.7
|
|
OD2
|
B:ASP99
|
3.6
|
22.0
|
1.0
|
|
CA
|
B:CA1116
|
3.7
|
10.3
|
0.7
|
|
OD2
|
B:ASP101
|
3.9
|
14.5
|
0.7
|
|
O
|
B:HOH2137
|
4.1
|
23.5
|
1.0
|
|
N
|
B:ASP101
|
4.1
|
17.7
|
1.0
|
|
OD1
|
B:ASP96
|
4.3
|
14.6
|
1.0
|
|
CG
|
B:GLU95
|
4.4
|
10.9
|
1.0
|
|
N
|
B:ASN100
|
4.4
|
22.2
|
1.0
|
|
CB
|
B:ASP104
|
4.5
|
7.4
|
1.0
|
|
C4
|
B:MFU1115
|
4.6
|
17.7
|
1.0
|
|
CB
|
B:ASP101
|
4.6
|
17.0
|
1.0
|
|
N
|
B:TYR102
|
4.6
|
12.0
|
1.0
|
|
OD1
|
B:ASN103
|
4.6
|
13.6
|
1.0
|
|
N
|
B:ASP96
|
4.6
|
9.9
|
1.0
|
|
CB
|
B:ASP99
|
4.7
|
22.9
|
1.0
|
|
O4
|
B:MFU1115
|
4.7
|
14.4
|
1.0
|
|
N
|
B:GLY97
|
4.7
|
15.3
|
1.0
|
|
C1
|
B:MFU1115
|
4.7
|
18.1
|
1.0
|
|
CA
|
B:ASP101
|
4.8
|
15.7
|
1.0
|
|
N
|
B:ASP99
|
4.8
|
23.4
|
1.0
|
|
CA
|
B:GLU95
|
4.9
|
9.3
|
1.0
|
|
C
|
B:ASP99
|
5.0
|
23.0
|
1.0
|
|
Calcium binding site 5 out
of 8 in 2jdp
Go back to
Calcium Binding Sites List in 2jdp
Calcium binding site 5 out
of 8 in the Mutant (S23A) of Pseudomonas Aeruginosa Lectin II (Pa-Iil) Complexed with Methyl-A-L-Fucopyranoside
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 5 of Mutant (S23A) of Pseudomonas Aeruginosa Lectin II (Pa-Iil) Complexed with Methyl-A-L-Fucopyranoside within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Ca1116
b:12.5
occ:0.70
|
O3
|
C:MFU1115
|
2.3
|
18.3
|
1.0
|
|
OD1
|
C:ASN103
|
2.4
|
17.7
|
1.0
|
|
O
|
C:ASN21
|
2.4
|
11.9
|
1.0
|
|
O4
|
C:MFU1115
|
2.4
|
21.2
|
1.0
|
|
OD1
|
C:ASP104
|
2.5
|
14.1
|
1.0
|
|
O
|
D:GLY114
|
2.5
|
10.0
|
0.5
|
|
OD2
|
C:ASP101
|
2.5
|
20.5
|
0.7
|
|
C3
|
C:MFU1115
|
3.3
|
19.4
|
1.0
|
|
CG
|
C:ASP101
|
3.3
|
19.6
|
0.7
|
|
OD1
|
C:ASP101
|
3.3
|
19.9
|
0.7
|
|
C4
|
C:MFU1115
|
3.3
|
20.3
|
1.0
|
|
CG
|
C:ASN103
|
3.4
|
13.2
|
1.0
|
|
C
|
D:GLY114
|
3.4
|
10.5
|
0.5
|
|
OXT
|
D:GLY114
|
3.6
|
10.4
|
0.5
|
|
C
|
C:ASN21
|
3.6
|
9.9
|
1.0
|
|
ND2
|
C:ASN103
|
3.7
|
11.5
|
1.0
|
|
CG
|
C:ASP104
|
3.7
|
10.8
|
1.0
|
|
CA
|
C:CA1117
|
3.7
|
14.9
|
0.7
|
|
C2
|
C:MFU1115
|
3.8
|
22.1
|
1.0
|
|
CA
|
C:ASP104
|
4.3
|
7.3
|
1.0
|
|
N
|
C:ASP104
|
4.3
|
7.8
|
1.0
|
|
CB
|
C:ASN21
|
4.3
|
9.7
|
1.0
|
|
CA
|
C:SER22
|
4.3
|
11.6
|
1.0
|
|
N
|
C:SER22
|
4.4
|
11.1
|
1.0
|
|
C
|
C:ASN103
|
4.4
|
7.8
|
1.0
|
|
O
|
C:HOH2147
|
4.4
|
30.3
|
1.0
|
|
OD2
|
C:ASP104
|
4.5
|
12.4
|
1.0
|
|
O2
|
C:MFU1115
|
4.5
|
21.3
|
1.0
|
|
CA
|
D:GLY114
|
4.5
|
10.9
|
0.5
|
|
OD2
|
C:ASP99
|
4.6
|
25.8
|
0.7
|
|
CB
|
C:ASP104
|
4.6
|
8.2
|
1.0
|
|
CA
|
C:ASN21
|
4.7
|
8.1
|
1.0
|
|
O
|
C:ASN103
|
4.7
|
7.6
|
1.0
|
|
C5
|
C:MFU1115
|
4.7
|
19.1
|
1.0
|
|
CB
|
C:ASP101
|
4.7
|
19.6
|
1.0
|
|
CB
|
C:SER22
|
4.7
|
11.9
|
1.0
|
|
CB
|
C:ASN103
|
4.7
|
9.6
|
1.0
|
|
CA
|
D:GLY114
|
4.8
|
10.1
|
0.5
|
|
O5
|
C:MFU1115
|
4.9
|
18.6
|
1.0
|
|
OD1
|
C:ASP99
|
4.9
|
22.0
|
0.7
|
|
CA
|
C:ASN103
|
5.0
|
9.2
|
1.0
|
|
Calcium binding site 6 out
of 8 in 2jdp
Go back to
Calcium Binding Sites List in 2jdp
Calcium binding site 6 out
of 8 in the Mutant (S23A) of Pseudomonas Aeruginosa Lectin II (Pa-Iil) Complexed with Methyl-A-L-Fucopyranoside
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 6 of Mutant (S23A) of Pseudomonas Aeruginosa Lectin II (Pa-Iil) Complexed with Methyl-A-L-Fucopyranoside within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Ca1117
b:14.9
occ:0.70
|
OD1
|
C:ASP99
|
2.3
|
22.0
|
0.7
|
|
O3
|
C:MFU1115
|
2.3
|
18.3
|
1.0
|
|
OD1
|
C:ASP101
|
2.4
|
19.9
|
0.7
|
|
OE2
|
C:GLU95
|
2.5
|
18.9
|
1.0
|
|
OD2
|
C:ASP104
|
2.5
|
12.4
|
1.0
|
|
O2
|
C:MFU1115
|
2.6
|
21.3
|
1.0
|
|
OD1
|
C:ASP104
|
2.7
|
14.1
|
1.0
|
|
OE1
|
C:GLU95
|
2.7
|
19.2
|
1.0
|
|
CD
|
C:GLU95
|
3.0
|
18.4
|
1.0
|
|
CG
|
C:ASP104
|
3.0
|
10.8
|
1.0
|
|
C3
|
C:MFU1115
|
3.2
|
19.4
|
1.0
|
|
C2
|
C:MFU1115
|
3.3
|
22.1
|
1.0
|
|
CG
|
C:ASP99
|
3.4
|
25.3
|
0.7
|
|
CG
|
C:ASP101
|
3.4
|
19.6
|
0.7
|
|
CA
|
C:CA1116
|
3.7
|
12.5
|
0.7
|
|
OD2
|
C:ASP99
|
3.7
|
25.8
|
0.7
|
|
OD2
|
C:ASP101
|
3.8
|
20.5
|
0.7
|
|
OD1
|
C:ASP96
|
4.3
|
17.9
|
1.0
|
|
N
|
C:ASP101
|
4.3
|
20.8
|
1.0
|
|
N
|
C:ASN100
|
4.4
|
24.7
|
1.0
|
|
CG
|
C:GLU95
|
4.5
|
14.6
|
1.0
|
|
CB
|
C:ASP104
|
4.5
|
8.2
|
1.0
|
|
OD1
|
C:ASN103
|
4.5
|
17.7
|
1.0
|
|
C4
|
C:MFU1115
|
4.6
|
20.3
|
1.0
|
|
N
|
C:GLY97
|
4.6
|
19.4
|
1.0
|
|
N
|
C:ASP99
|
4.7
|
25.7
|
1.0
|
|
CB
|
C:ASP99
|
4.7
|
25.7
|
1.0
|
|
C1
|
C:MFU1115
|
4.7
|
21.0
|
1.0
|
|
CB
|
C:ASP101
|
4.7
|
19.6
|
1.0
|
|
N
|
C:TYR102
|
4.7
|
14.1
|
1.0
|
|
N
|
C:ASP96
|
4.8
|
13.0
|
1.0
|
|
O4
|
C:MFU1115
|
4.8
|
21.2
|
1.0
|
|
CA
|
C:GLY97
|
4.9
|
21.1
|
1.0
|
|
CA
|
C:ASP101
|
4.9
|
18.7
|
1.0
|
|
C
|
C:ASP99
|
5.0
|
25.4
|
1.0
|
|
CA
|
C:ASP99
|
5.0
|
25.7
|
1.0
|
|
CA
|
C:GLU95
|
5.0
|
11.1
|
1.0
|
|
Calcium binding site 7 out
of 8 in 2jdp
Go back to
Calcium Binding Sites List in 2jdp
Calcium binding site 7 out
of 8 in the Mutant (S23A) of Pseudomonas Aeruginosa Lectin II (Pa-Iil) Complexed with Methyl-A-L-Fucopyranoside
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 7 of Mutant (S23A) of Pseudomonas Aeruginosa Lectin II (Pa-Iil) Complexed with Methyl-A-L-Fucopyranoside within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Ca1116
b:12.2
occ:0.70
|
OD1
|
D:ASN103
|
2.3
|
18.9
|
1.0
|
|
O
|
D:ASN21
|
2.3
|
11.0
|
1.0
|
|
O4
|
D:MFU1115
|
2.4
|
18.6
|
1.0
|
|
O
|
C:GLY114
|
2.5
|
12.7
|
0.7
|
|
OD1
|
D:ASP104
|
2.5
|
13.1
|
1.0
|
|
OD2
|
D:ASP101
|
2.5
|
14.5
|
0.7
|
|
O3
|
D:MFU1115
|
2.5
|
17.9
|
1.0
|
|
OD1
|
D:ASP101
|
3.2
|
14.6
|
0.7
|
|
CG
|
D:ASP101
|
3.2
|
16.5
|
0.7
|
|
CG
|
D:ASN103
|
3.2
|
16.4
|
1.0
|
|
C3
|
D:MFU1115
|
3.4
|
17.1
|
1.0
|
|
C
|
C:GLY114
|
3.4
|
12.3
|
0.7
|
|
C4
|
D:MFU1115
|
3.4
|
18.4
|
1.0
|
|
C
|
D:ASN21
|
3.5
|
8.6
|
1.0
|
|
ND2
|
D:ASN103
|
3.6
|
16.8
|
1.0
|
|
OXT
|
C:GLY114
|
3.6
|
13.5
|
0.7
|
|
CG
|
D:ASP104
|
3.7
|
10.0
|
1.0
|
|
CA
|
D:CA1117
|
3.7
|
13.2
|
0.7
|
|
C2
|
D:MFU1115
|
3.8
|
17.7
|
1.0
|
|
N
|
D:ASP104
|
4.1
|
8.2
|
1.0
|
|
CB
|
D:ASN21
|
4.1
|
7.4
|
1.0
|
|
CA
|
D:ASP104
|
4.1
|
7.3
|
1.0
|
|
O
|
D:HOH2144
|
4.3
|
28.8
|
1.0
|
|
C
|
D:ASN103
|
4.3
|
9.0
|
1.0
|
|
N
|
D:SER22
|
4.4
|
9.0
|
1.0
|
|
CA
|
D:SER22
|
4.4
|
10.7
|
1.0
|
|
O2
|
D:MFU1115
|
4.5
|
18.5
|
1.0
|
|
CB
|
D:ASP104
|
4.5
|
7.9
|
1.0
|
|
CA
|
D:ASN21
|
4.5
|
7.9
|
1.0
|
|
OD2
|
D:ASP104
|
4.5
|
14.3
|
1.0
|
|
OD2
|
D:ASP99
|
4.5
|
25.1
|
1.0
|
|
CB
|
D:ASN103
|
4.5
|
11.0
|
1.0
|
|
CB
|
D:SER22
|
4.7
|
11.3
|
1.0
|
|
CB
|
D:ASP101
|
4.7
|
17.2
|
1.0
|
|
C5
|
D:MFU1115
|
4.7
|
18.3
|
1.0
|
|
O
|
D:ASN103
|
4.7
|
10.4
|
1.0
|
|
CA
|
C:GLY114
|
4.8
|
11.4
|
1.0
|
|
CA
|
D:ASN103
|
4.8
|
9.5
|
1.0
|
|
N
|
D:ASN103
|
4.9
|
9.0
|
1.0
|
|
Calcium binding site 8 out
of 8 in 2jdp
Go back to
Calcium Binding Sites List in 2jdp
Calcium binding site 8 out
of 8 in the Mutant (S23A) of Pseudomonas Aeruginosa Lectin II (Pa-Iil) Complexed with Methyl-A-L-Fucopyranoside
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 8 of Mutant (S23A) of Pseudomonas Aeruginosa Lectin II (Pa-Iil) Complexed with Methyl-A-L-Fucopyranoside within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Ca1117
b:13.2
occ:0.70
|
OD1
|
D:ASP101
|
2.3
|
14.6
|
0.7
|
|
O3
|
D:MFU1115
|
2.3
|
17.9
|
1.0
|
|
OD1
|
D:ASP99
|
2.4
|
23.5
|
1.0
|
|
OE2
|
D:GLU95
|
2.4
|
15.0
|
1.0
|
|
OD2
|
D:ASP104
|
2.4
|
14.3
|
1.0
|
|
O2
|
D:MFU1115
|
2.5
|
18.5
|
1.0
|
|
OD1
|
D:ASP104
|
2.6
|
13.1
|
1.0
|
|
OE1
|
D:GLU95
|
2.6
|
15.6
|
1.0
|
|
CG
|
D:ASP104
|
2.9
|
10.0
|
1.0
|
|
CD
|
D:GLU95
|
2.9
|
14.4
|
1.0
|
|
C3
|
D:MFU1115
|
3.3
|
17.1
|
1.0
|
|
C2
|
D:MFU1115
|
3.3
|
17.7
|
1.0
|
|
CG
|
D:ASP99
|
3.4
|
23.4
|
1.0
|
|
CG
|
D:ASP101
|
3.4
|
16.5
|
0.7
|
|
CA
|
D:CA1116
|
3.7
|
12.2
|
0.7
|
|
OD2
|
D:ASP99
|
3.7
|
25.1
|
1.0
|
|
OD2
|
D:ASP101
|
3.9
|
14.5
|
0.7
|
|
OD1
|
D:ASP96
|
4.2
|
19.9
|
1.0
|
|
N
|
D:ASP101
|
4.3
|
18.9
|
1.0
|
|
OD1
|
D:ASN103
|
4.3
|
18.9
|
1.0
|
|
CB
|
D:ASP104
|
4.3
|
7.9
|
1.0
|
|
CG
|
D:GLU95
|
4.4
|
11.6
|
1.0
|
|
N
|
D:ASN100
|
4.6
|
22.6
|
1.0
|
|
N
|
D:ASP96
|
4.6
|
12.7
|
1.0
|
|
N
|
D:TYR102
|
4.6
|
12.4
|
1.0
|
|
N
|
D:GLY97
|
4.6
|
18.5
|
1.0
|
|
C4
|
D:MFU1115
|
4.6
|
18.4
|
1.0
|
|
CB
|
D:ASP101
|
4.7
|
17.2
|
1.0
|
|
CB
|
D:ASP99
|
4.7
|
23.9
|
1.0
|
|
O4
|
D:MFU1115
|
4.8
|
18.6
|
1.0
|
|
C1
|
D:MFU1115
|
4.8
|
17.3
|
1.0
|
|
CA
|
D:GLU95
|
4.8
|
9.5
|
1.0
|
|
N
|
D:ASP99
|
4.8
|
24.5
|
1.0
|
|
CA
|
D:ASP101
|
4.8
|
17.3
|
1.0
|
|
N
|
D:ASP104
|
4.8
|
8.2
|
1.0
|
|
CA
|
D:GLY97
|
5.0
|
20.5
|
1.0
|
|
CG
|
D:ASP96
|
5.0
|
17.6
|
1.0
|
|
Reference:
J.Adam,
M.Pokorna,
C.Sabin,
E.P.Mitchell,
A.Imberty,
M.Wimmerova.
Engineering of Pa-Iil Lectin From Pseudomonas Aeruginosa - Unravelling the Role of the Specificity Loop For Sugar Preference. Bmc Struct.Biol. V. 7 36 2007.
ISSN: ISSN 1472-6807
PubMed: 17540045
DOI: 10.1186/1472-6807-7-36
Page generated: Sat Dec 12 03:41:52 2020
|
