Magnesium in PDB 5d5g: Structure of Colocasia Esculenta Agglutinin
Protein crystallography data
The structure of Structure of Colocasia Esculenta Agglutinin, PDB code: 5d5g
was solved by
H.Biswas,
R.Chattopadhyaya,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
20.99 /
1.74
|
Space group
|
P 2 2 21
|
Cell size a, b, c (Å), α, β, γ (°)
|
122.012,
47.198,
82.251,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
34.4 /
42.7
|
Magnesium Binding Sites:
The binding sites of Magnesium atom in the Structure of Colocasia Esculenta Agglutinin
(pdb code 5d5g). This binding sites where shown within
5.0 Angstroms radius around Magnesium atom.
In total 5 binding sites of Magnesium where determined in the
Structure of Colocasia Esculenta Agglutinin, PDB code: 5d5g:
Jump to Magnesium binding site number:
1;
2;
3;
4;
5;
Magnesium binding site 1 out
of 5 in 5d5g
Go back to
Magnesium Binding Sites List in 5d5g
Magnesium binding site 1 out
of 5 in the Structure of Colocasia Esculenta Agglutinin
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 1 of Structure of Colocasia Esculenta Agglutinin within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg201
b:9.3
occ:1.00
|
O
|
B:GLY102
|
1.8
|
5.7
|
1.0
|
O
|
A:PRO98
|
1.9
|
12.7
|
1.0
|
N
|
B:GLY102
|
2.2
|
12.2
|
1.0
|
C
|
B:GLY102
|
2.4
|
10.5
|
1.0
|
CA
|
A:GLY97
|
2.4
|
13.0
|
1.0
|
C
|
A:GLY97
|
2.5
|
6.8
|
1.0
|
CA
|
B:GLY102
|
2.7
|
10.4
|
1.0
|
C
|
A:PRO98
|
2.8
|
7.4
|
1.0
|
N
|
A:PRO98
|
2.9
|
4.0
|
1.0
|
O
|
A:GLY97
|
3.1
|
10.2
|
1.0
|
CA
|
A:PRO98
|
3.3
|
10.2
|
1.0
|
N
|
A:GLY97
|
3.3
|
18.3
|
1.0
|
C
|
B:TYR101
|
3.4
|
12.6
|
1.0
|
N
|
B:PRO103
|
3.7
|
9.3
|
1.0
|
O
|
B:HOH313
|
3.7
|
7.6
|
1.0
|
CD
|
A:PRO98
|
3.9
|
7.7
|
1.0
|
CA
|
B:TYR101
|
3.9
|
12.4
|
1.0
|
N
|
A:SER99
|
3.9
|
8.1
|
1.0
|
CG2
|
A:VAL100
|
4.2
|
7.4
|
1.0
|
C
|
A:PHE96
|
4.3
|
15.3
|
1.0
|
CA
|
A:SER99
|
4.4
|
10.1
|
1.0
|
CG
|
A:PRO98
|
4.4
|
7.4
|
1.0
|
CD
|
B:PRO103
|
4.5
|
7.6
|
1.0
|
O
|
B:TYR101
|
4.5
|
11.2
|
1.0
|
CB
|
A:PRO98
|
4.5
|
8.1
|
1.0
|
C
|
A:SER99
|
4.7
|
18.8
|
1.0
|
N
|
A:VAL100
|
4.7
|
24.4
|
1.0
|
CB
|
B:TYR101
|
4.7
|
11.5
|
1.0
|
O
|
A:PHE96
|
4.8
|
14.6
|
1.0
|
CE2
|
B:TYR88
|
4.8
|
9.1
|
1.0
|
CA
|
B:PRO103
|
4.8
|
13.1
|
1.0
|
O
|
B:PRO103
|
5.0
|
16.9
|
1.0
|
|
Magnesium binding site 2 out
of 5 in 5d5g
Go back to
Magnesium Binding Sites List in 5d5g
Magnesium binding site 2 out
of 5 in the Structure of Colocasia Esculenta Agglutinin
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 2 of Structure of Colocasia Esculenta Agglutinin within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg203
b:14.1
occ:1.00
|
N
|
A:ALA85
|
1.9
|
15.6
|
1.0
|
O
|
A:LEU6
|
1.9
|
11.6
|
1.0
|
CA
|
A:ALA85
|
2.5
|
8.8
|
1.0
|
CB
|
A:ALA85
|
2.5
|
8.7
|
1.0
|
O
|
A:ALA85
|
2.5
|
14.2
|
1.0
|
C
|
A:LEU6
|
2.8
|
13.8
|
1.0
|
C
|
A:ALA85
|
2.9
|
14.9
|
1.0
|
C
|
A:ALA84
|
3.0
|
18.3
|
1.0
|
N
|
A:LEU6
|
3.1
|
13.0
|
1.0
|
CB
|
A:LEU6
|
3.1
|
8.5
|
1.0
|
CA
|
A:LEU6
|
3.1
|
8.3
|
1.0
|
CA
|
A:ALA84
|
3.4
|
15.9
|
0.4
|
CD2
|
A:LEU55
|
3.6
|
10.7
|
1.0
|
CG
|
A:LEU6
|
3.8
|
9.2
|
1.0
|
N
|
A:LEU7
|
4.0
|
12.9
|
1.0
|
O
|
A:ALA84
|
4.1
|
21.1
|
1.0
|
N
|
A:VAL86
|
4.2
|
14.3
|
1.0
|
CD2
|
A:LEU6
|
4.3
|
5.9
|
1.0
|
C
|
A:TYR5
|
4.3
|
8.2
|
1.0
|
CB
|
A:ALA84
|
4.4
|
15.8
|
1.0
|
N
|
A:ALA84
|
4.5
|
17.0
|
1.0
|
CA
|
A:LEU7
|
4.6
|
12.6
|
1.0
|
CG
|
A:LEU55
|
4.7
|
10.2
|
1.0
|
CA
|
A:TYR5
|
4.8
|
13.4
|
1.0
|
O
|
A:TYR83
|
5.0
|
15.7
|
1.0
|
|
Magnesium binding site 3 out
of 5 in 5d5g
Go back to
Magnesium Binding Sites List in 5d5g
Magnesium binding site 3 out
of 5 in the Structure of Colocasia Esculenta Agglutinin
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 3 of Structure of Colocasia Esculenta Agglutinin within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mg202
b:12.3
occ:1.00
|
C
|
B:ASN6
|
1.9
|
6.8
|
1.0
|
O
|
B:THR22
|
2.0
|
3.2
|
1.0
|
N
|
B:ASN7
|
2.1
|
6.6
|
1.0
|
O
|
B:ASN6
|
2.2
|
10.6
|
1.0
|
CA
|
B:ASN7
|
2.3
|
9.9
|
1.0
|
CB
|
B:ASN7
|
2.6
|
11.5
|
1.0
|
CB
|
B:ASN6
|
2.8
|
7.4
|
0.1
|
CA
|
B:ASN6
|
2.9
|
5.2
|
1.0
|
C
|
B:THR22
|
3.0
|
7.2
|
1.0
|
N
|
B:THR22
|
3.2
|
9.6
|
1.0
|
CA
|
B:THR22
|
3.6
|
7.8
|
1.0
|
CG
|
B:ASN7
|
3.7
|
7.9
|
1.0
|
C
|
B:ASN7
|
3.8
|
11.1
|
1.0
|
OD1
|
B:ASN7
|
4.1
|
6.1
|
1.0
|
N
|
B:ASN6
|
4.1
|
7.2
|
1.0
|
CB
|
B:THR22
|
4.1
|
7.9
|
0.5
|
CG
|
B:ASN6
|
4.1
|
7.5
|
0.3
|
N
|
B:ALA23
|
4.2
|
3.7
|
1.0
|
C
|
B:LEU21
|
4.3
|
12.5
|
1.0
|
ND2
|
B:ASN6
|
4.5
|
9.1
|
0.8
|
N
|
B:LEU8
|
4.5
|
11.3
|
1.0
|
CA
|
B:ALA23
|
4.6
|
9.3
|
1.0
|
CA
|
B:LEU21
|
4.6
|
7.5
|
1.0
|
O
|
B:ASN7
|
4.6
|
13.1
|
1.0
|
O
|
B:HOH306
|
4.7
|
4.9
|
1.0
|
ND2
|
B:ASN7
|
4.7
|
4.6
|
1.0
|
O
|
B:THR5
|
4.7
|
15.8
|
1.0
|
OG1
|
B:THR22
|
4.7
|
6.4
|
0.4
|
CB
|
B:ALA23
|
4.7
|
16.3
|
1.0
|
CB
|
B:LEU21
|
4.8
|
15.3
|
0.7
|
C
|
B:THR5
|
4.8
|
9.8
|
1.0
|
|
Magnesium binding site 4 out
of 5 in 5d5g
Go back to
Magnesium Binding Sites List in 5d5g
Magnesium binding site 4 out
of 5 in the Structure of Colocasia Esculenta Agglutinin
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 4 of Structure of Colocasia Esculenta Agglutinin within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mg203
b:14.4
occ:1.00
|
O
|
B:VAL89
|
1.9
|
7.4
|
1.0
|
O
|
B:VAL99
|
2.0
|
5.2
|
1.0
|
CA
|
B:ILE100
|
2.3
|
9.4
|
1.0
|
CA
|
B:LEU90
|
2.4
|
11.1
|
1.0
|
C
|
B:VAL89
|
2.7
|
12.2
|
1.0
|
C
|
B:VAL99
|
2.7
|
10.1
|
1.0
|
N
|
B:TYR101
|
2.8
|
11.2
|
1.0
|
C
|
B:ILE100
|
2.9
|
13.0
|
1.0
|
N
|
B:ILE100
|
2.9
|
5.6
|
1.0
|
N
|
B:LEU90
|
2.9
|
11.6
|
1.0
|
N
|
B:ILE91
|
3.0
|
10.8
|
1.0
|
C
|
B:LEU90
|
3.1
|
15.9
|
1.0
|
CD1
|
B:TYR101
|
3.5
|
14.4
|
1.0
|
CB
|
B:ILE100
|
3.5
|
10.2
|
1.0
|
CB
|
B:LEU90
|
3.6
|
6.2
|
1.0
|
CG2
|
B:ILE100
|
3.9
|
7.8
|
1.0
|
O
|
B:ILE100
|
3.9
|
16.2
|
1.0
|
CG1
|
B:ILE100
|
4.0
|
12.1
|
1.0
|
CA
|
B:TYR101
|
4.1
|
12.4
|
1.0
|
CA
|
B:VAL89
|
4.2
|
10.8
|
1.0
|
CD1
|
B:LEU90
|
4.2
|
5.8
|
0.7
|
O
|
B:LEU90
|
4.2
|
20.7
|
1.0
|
CA
|
B:VAL99
|
4.2
|
9.6
|
1.0
|
CE1
|
B:TYR101
|
4.2
|
16.4
|
1.0
|
CG
|
B:TYR101
|
4.3
|
15.6
|
1.0
|
CB
|
B:TYR101
|
4.3
|
11.5
|
1.0
|
CA
|
B:ILE91
|
4.4
|
10.4
|
1.0
|
CG
|
B:LEU90
|
4.4
|
7.5
|
0.7
|
CB
|
B:ILE91
|
4.6
|
14.4
|
0.6
|
N
|
B:VAL89
|
4.6
|
10.6
|
1.0
|
CG1
|
B:ILE91
|
4.6
|
6.6
|
0.6
|
CG1
|
B:VAL89
|
4.7
|
11.5
|
1.0
|
N
|
B:VAL99
|
4.7
|
4.8
|
1.0
|
O
|
B:TYR101
|
4.8
|
11.2
|
1.0
|
CB
|
B:VAL99
|
4.9
|
10.2
|
0.3
|
CB
|
B:VAL89
|
4.9
|
15.5
|
1.0
|
O
|
B:ILE91
|
4.9
|
12.7
|
1.0
|
C
|
B:TYR101
|
5.0
|
12.6
|
1.0
|
|
Magnesium binding site 5 out
of 5 in 5d5g
Go back to
Magnesium Binding Sites List in 5d5g
Magnesium binding site 5 out
of 5 in the Structure of Colocasia Esculenta Agglutinin
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 5 of Structure of Colocasia Esculenta Agglutinin within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mg204
b:17.4
occ:1.00
|
O
|
B:ILE91
|
1.8
|
12.7
|
1.0
|
O
|
B:PHE97
|
2.1
|
15.4
|
1.0
|
CA
|
B:ALA98
|
2.3
|
12.9
|
1.0
|
C
|
B:ILE91
|
2.6
|
16.9
|
1.0
|
CA
|
B:LEU92
|
2.8
|
11.6
|
1.0
|
C
|
B:PHE97
|
2.8
|
20.0
|
1.0
|
N
|
B:ARG93
|
2.9
|
24.7
|
1.0
|
N
|
B:VAL99
|
2.9
|
4.8
|
1.0
|
N
|
B:ALA98
|
3.0
|
20.9
|
1.0
|
C
|
B:ALA98
|
3.1
|
15.7
|
1.0
|
N
|
B:LEU92
|
3.1
|
15.6
|
1.0
|
CG
|
B:ARG93
|
3.3
|
19.5
|
1.0
|
C
|
B:LEU92
|
3.3
|
26.3
|
1.0
|
CA
|
B:ILE91
|
3.9
|
10.4
|
1.0
|
CB
|
B:LEU92
|
4.0
|
14.1
|
1.0
|
CA
|
B:ARG93
|
4.1
|
24.9
|
1.0
|
CB
|
B:ARG93
|
4.2
|
23.1
|
1.0
|
CG2
|
B:ILE91
|
4.2
|
9.4
|
0.5
|
CA
|
B:VAL99
|
4.2
|
9.6
|
1.0
|
CB
|
B:ILE91
|
4.3
|
14.4
|
0.6
|
O
|
B:ALA98
|
4.3
|
11.1
|
1.0
|
CA
|
B:PHE97
|
4.3
|
20.7
|
1.0
|
CD1
|
B:LEU92
|
4.3
|
16.1
|
1.0
|
N
|
B:ILE91
|
4.3
|
10.8
|
1.0
|
CD
|
B:ARG93
|
4.4
|
13.1
|
1.0
|
CD1
|
B:LEU90
|
4.5
|
5.8
|
0.7
|
O
|
B:VAL99
|
4.5
|
5.2
|
1.0
|
O
|
B:LEU92
|
4.5
|
23.6
|
1.0
|
CG2
|
B:VAL99
|
4.6
|
13.8
|
0.3
|
CG
|
B:LEU92
|
4.7
|
15.5
|
1.0
|
CB
|
B:VAL99
|
4.7
|
10.2
|
0.3
|
CB
|
B:PHE97
|
4.7
|
20.3
|
1.0
|
N
|
B:PHE97
|
4.8
|
21.5
|
1.0
|
C
|
B:VAL99
|
4.9
|
10.1
|
1.0
|
|
Reference:
R.Chattopadhyaya,
H.Biswas,
A.Sarkar.
Crystal Structure Colocasia Esculenta Tuber Agglutinin at 1.74A Resolution and Its Quaternary Interactions J Glycobio V. 6 00126 2017.
ISSN: ISSN 2168-958X
DOI: 10.4172/2168-958X.1000126
Page generated: Sun Sep 29 02:31:16 2024
|