Calcium in PDB 8pol: Crystal Structure of Plasmodium Falciparum SUB1 Protease
Enzymatic activity of Crystal Structure of Plasmodium Falciparum SUB1 Protease
All present enzymatic activity of Crystal Structure of Plasmodium Falciparum SUB1 Protease:
3.4.21.62;
Protein crystallography data
The structure of Crystal Structure of Plasmodium Falciparum SUB1 Protease, PDB code: 8pol
was solved by
M.Martinez,
A.Bouillon,
A.Haouz,
J.C.Barale,
P.M.Alzari,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
|
Resolution Low / High (Å)
|
43.25 /
3.09
|
|
Space group
|
P 21 21 21
|
|
Cell size a, b, c (Å), α, β, γ (°)
|
86.576,
107.163,
137.682,
90,
90,
90
|
|
R / Rfree (%)
|
17 /
22.8
|
Calcium Binding Sites:
The binding sites of Calcium atom in the Crystal Structure of Plasmodium Falciparum SUB1 Protease
(pdb code 8pol). 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 Plasmodium Falciparum SUB1 Protease, PDB code: 8pol:
Jump to Calcium binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
Calcium binding site 1 out
of 8 in 8pol
Go back to
Calcium Binding Sites List in 8pol
Calcium binding site 1 out
of 8 in the Crystal Structure of Plasmodium Falciparum SUB1 Protease
 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 Plasmodium Falciparum SUB1 Protease within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca701
b:62.3
occ:1.00
|
O
|
A:THR148
|
2.5
|
69.4
|
1.0
|
|
O
|
A:ASN145
|
2.6
|
68.1
|
1.0
|
|
O
|
A:PRO150
|
2.8
|
87.7
|
1.0
|
|
OG1
|
A:THR148
|
2.9
|
74.2
|
1.0
|
|
O
|
A:GLY205
|
2.9
|
71.8
|
1.0
|
|
OE1
|
A:GLU144
|
3.3
|
74.9
|
1.0
|
|
C
|
A:THR148
|
3.4
|
84.7
|
1.0
|
|
C
|
A:PRO150
|
3.6
|
92.9
|
1.0
|
|
CA
|
A:GLY205
|
3.6
|
75.0
|
1.0
|
|
C
|
A:GLY205
|
3.7
|
72.5
|
1.0
|
|
C
|
A:ASN145
|
3.8
|
66.0
|
1.0
|
|
CA
|
A:SER151
|
3.8
|
70.8
|
1.0
|
|
CB
|
A:THR148
|
4.0
|
68.0
|
1.0
|
|
N
|
A:SER151
|
4.0
|
83.0
|
1.0
|
|
CA
|
A:THR148
|
4.1
|
70.0
|
1.0
|
|
CD
|
A:GLU144
|
4.2
|
84.7
|
1.0
|
|
N
|
A:PHE152
|
4.2
|
69.9
|
1.0
|
|
N
|
A:THR149
|
4.3
|
86.8
|
1.0
|
|
N
|
A:PRO150
|
4.3
|
84.2
|
1.0
|
|
C
|
A:THR149
|
4.3
|
91.1
|
1.0
|
|
N
|
A:THR148
|
4.4
|
68.2
|
1.0
|
|
N
|
A:ASN145
|
4.4
|
65.0
|
1.0
|
|
C
|
A:SER151
|
4.5
|
71.4
|
1.0
|
|
CA
|
A:ASN145
|
4.5
|
65.1
|
1.0
|
|
CD
|
A:PRO150
|
4.6
|
79.5
|
1.0
|
|
CA
|
A:PRO150
|
4.6
|
72.1
|
1.0
|
|
CB
|
A:ASN145
|
4.6
|
71.1
|
1.0
|
|
O
|
A:THR149
|
4.6
|
115.2
|
1.0
|
|
CG
|
A:GLU144
|
4.7
|
73.0
|
1.0
|
|
CA
|
A:THR149
|
4.7
|
83.0
|
1.0
|
|
N
|
A:HIS146
|
4.8
|
67.5
|
1.0
|
|
CA
|
A:HIS146
|
4.9
|
71.2
|
1.0
|
|
CB
|
A:SER151
|
4.9
|
85.2
|
1.0
|
|
N
|
A:GLY205
|
5.0
|
75.9
|
1.0
|
|
N
|
A:ALA206
|
5.0
|
71.1
|
1.0
|
|
Calcium binding site 2 out
of 8 in 8pol
Go back to
Calcium Binding Sites List in 8pol
Calcium binding site 2 out
of 8 in the Crystal Structure of Plasmodium Falciparum SUB1 Protease
 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 Plasmodium Falciparum SUB1 Protease within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca702
b:110.5
occ:1.00
|
O
|
A:ARG396
|
2.2
|
108.0
|
1.0
|
|
OD2
|
A:ASP401
|
2.2
|
107.0
|
1.0
|
|
O
|
A:PHE399
|
2.3
|
103.0
|
1.0
|
|
OE1
|
A:GLU392
|
2.3
|
102.4
|
1.0
|
|
OD1
|
A:ASP408
|
2.3
|
112.7
|
1.0
|
|
C
|
A:ARG396
|
3.4
|
110.2
|
1.0
|
|
C
|
A:PHE399
|
3.4
|
107.1
|
1.0
|
|
CG
|
A:ASP401
|
3.4
|
109.1
|
1.0
|
|
CD
|
A:GLU392
|
3.5
|
96.4
|
1.0
|
|
N
|
A:PHE399
|
3.6
|
113.8
|
1.0
|
|
CG
|
A:ASP408
|
3.6
|
107.2
|
1.0
|
|
CA
|
A:PHE399
|
4.0
|
116.9
|
1.0
|
|
CA
|
A:ASP408
|
4.0
|
94.5
|
1.0
|
|
OE2
|
A:GLU392
|
4.0
|
90.5
|
1.0
|
|
N
|
A:ASP408
|
4.0
|
87.6
|
1.0
|
|
OD1
|
A:ASP401
|
4.1
|
119.1
|
1.0
|
|
O
|
A:GLU392
|
4.2
|
95.0
|
1.0
|
|
CA
|
A:LYS397
|
4.2
|
114.8
|
1.0
|
|
N
|
A:GLY398
|
4.2
|
110.0
|
1.0
|
|
N
|
A:LYS397
|
4.3
|
109.4
|
1.0
|
|
N
|
A:ARG396
|
4.3
|
107.7
|
1.0
|
|
C
|
A:LYS397
|
4.3
|
115.9
|
1.0
|
|
CA
|
A:ARG396
|
4.4
|
113.1
|
1.0
|
|
CB
|
A:PHE399
|
4.4
|
123.5
|
1.0
|
|
C
|
A:GLY395
|
4.4
|
111.4
|
1.0
|
|
CB
|
A:ASP408
|
4.4
|
96.1
|
1.0
|
|
N
|
A:ASP401
|
4.4
|
104.9
|
1.0
|
|
OD2
|
A:ASP408
|
4.5
|
106.5
|
1.0
|
|
CB
|
A:ASP401
|
4.5
|
107.3
|
1.0
|
|
N
|
A:ASP400
|
4.6
|
99.7
|
1.0
|
|
O
|
A:GLY395
|
4.6
|
105.3
|
1.0
|
|
CA
|
A:GLU392
|
4.6
|
92.5
|
1.0
|
|
CG
|
A:GLU392
|
4.7
|
97.1
|
1.0
|
|
C
|
A:GLY398
|
4.7
|
105.9
|
1.0
|
|
CB
|
A:GLU392
|
4.7
|
86.0
|
1.0
|
|
C
|
A:GLU392
|
4.9
|
96.2
|
1.0
|
|
CA
|
A:GLY395
|
4.9
|
112.4
|
1.0
|
|
CA
|
A:ASP400
|
5.0
|
95.7
|
1.0
|
|
O
|
A:LYS397
|
5.0
|
105.3
|
1.0
|
|
CA
|
A:GLY398
|
5.0
|
104.1
|
1.0
|
|
Calcium binding site 3 out
of 8 in 8pol
Go back to
Calcium Binding Sites List in 8pol
Calcium binding site 3 out
of 8 in the Crystal Structure of Plasmodium Falciparum SUB1 Protease
 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 Plasmodium Falciparum SUB1 Protease within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca703
b:73.9
occ:1.00
|
OD1
|
A:ASP402
|
2.2
|
86.6
|
1.0
|
|
OE2
|
A:GLU392
|
2.3
|
90.5
|
1.0
|
|
OD1
|
A:ASN404
|
2.3
|
88.0
|
1.0
|
|
O
|
A:ILE406
|
2.3
|
82.5
|
1.0
|
|
OD1
|
A:ASP409
|
2.4
|
85.9
|
1.0
|
|
OD1
|
A:ASP400
|
2.4
|
98.0
|
1.0
|
|
CD
|
A:GLU392
|
3.1
|
96.4
|
1.0
|
|
CG
|
A:ASN404
|
3.3
|
88.8
|
1.0
|
|
CG
|
A:GLU392
|
3.3
|
97.1
|
1.0
|
|
CG
|
A:ASP402
|
3.3
|
93.3
|
1.0
|
|
CG
|
A:ASP400
|
3.4
|
91.0
|
1.0
|
|
CG
|
A:ASP409
|
3.4
|
74.8
|
1.0
|
|
C
|
A:ILE406
|
3.5
|
87.2
|
1.0
|
|
ND2
|
A:ASN404
|
3.7
|
85.1
|
1.0
|
|
OD2
|
A:ASP402
|
3.8
|
87.8
|
1.0
|
|
OD2
|
A:ASP409
|
3.8
|
66.2
|
1.0
|
|
CA
|
A:ASP400
|
4.0
|
95.7
|
1.0
|
|
N
|
A:ASP401
|
4.1
|
104.9
|
1.0
|
|
N
|
A:ASP402
|
4.1
|
103.1
|
1.0
|
|
OD2
|
A:ASP400
|
4.2
|
86.7
|
1.0
|
|
N
|
A:ILE406
|
4.2
|
86.1
|
1.0
|
|
CB
|
A:ASP400
|
4.2
|
90.6
|
1.0
|
|
CA
|
A:ILE406
|
4.3
|
88.3
|
1.0
|
|
C
|
A:ASP400
|
4.3
|
102.4
|
1.0
|
|
OE1
|
A:GLU392
|
4.3
|
102.4
|
1.0
|
|
N
|
A:ASN404
|
4.4
|
94.5
|
1.0
|
|
N
|
A:VAL407
|
4.5
|
84.8
|
1.0
|
|
CB
|
A:ILE406
|
4.5
|
83.9
|
1.0
|
|
CB
|
A:ASP402
|
4.6
|
109.1
|
1.0
|
|
CB
|
A:ASN404
|
4.6
|
93.5
|
1.0
|
|
N
|
A:ASN403
|
4.6
|
91.7
|
1.0
|
|
N
|
A:ASP408
|
4.7
|
87.6
|
1.0
|
|
N
|
A:ASP409
|
4.7
|
76.1
|
1.0
|
|
CA
|
A:VAL407
|
4.7
|
89.4
|
1.0
|
|
CA
|
A:ASP402
|
4.7
|
103.7
|
1.0
|
|
CB
|
A:ASP409
|
4.7
|
74.1
|
1.0
|
|
CB
|
A:GLU392
|
4.8
|
86.0
|
1.0
|
|
C
|
A:ASP402
|
4.9
|
94.2
|
1.0
|
|
ND2
|
A:ASN389
|
4.9
|
91.3
|
1.0
|
|
CA
|
A:ASN404
|
4.9
|
92.3
|
1.0
|
|
C
|
A:VAL407
|
5.0
|
85.9
|
1.0
|
|
Calcium binding site 4 out
of 8 in 8pol
Go back to
Calcium Binding Sites List in 8pol
Calcium binding site 4 out
of 8 in the Crystal Structure of Plasmodium Falciparum SUB1 Protease
 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 Plasmodium Falciparum SUB1 Protease within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca704
b:90.1
occ:1.00
|
O
|
A:ILE444
|
2.3
|
56.1
|
1.0
|
|
OD2
|
A:ASP337
|
2.3
|
70.5
|
1.0
|
|
O
|
A:ILE439
|
2.3
|
61.2
|
1.0
|
|
OD1
|
A:ASP381
|
2.4
|
54.2
|
1.0
|
|
OD1
|
A:ASN442
|
2.5
|
62.6
|
1.0
|
|
O
|
A:VAL446
|
2.5
|
55.3
|
1.0
|
|
OD2
|
A:ASP381
|
2.6
|
62.3
|
1.0
|
|
CG
|
A:ASP381
|
2.8
|
54.0
|
1.0
|
|
N
|
A:VAL446
|
3.4
|
68.8
|
1.0
|
|
CG
|
A:ASN442
|
3.5
|
57.6
|
1.0
|
|
CG
|
A:ASP337
|
3.5
|
66.0
|
1.0
|
|
C
|
A:ILE444
|
3.5
|
63.9
|
1.0
|
|
C
|
A:VAL446
|
3.5
|
59.5
|
1.0
|
|
C
|
A:ILE439
|
3.5
|
62.8
|
1.0
|
|
ND2
|
A:ASN442
|
3.8
|
56.8
|
1.0
|
|
C
|
A:GLY445
|
4.0
|
63.8
|
1.0
|
|
CB
|
A:ASP337
|
4.1
|
60.8
|
1.0
|
|
CA
|
A:VAL446
|
4.1
|
59.3
|
1.0
|
|
CG1
|
A:ILE444
|
4.2
|
58.4
|
1.0
|
|
CA
|
A:GLY445
|
4.3
|
62.3
|
1.0
|
|
CB
|
A:ASP381
|
4.3
|
55.8
|
1.0
|
|
N
|
A:GLY445
|
4.4
|
63.2
|
1.0
|
|
CA
|
A:GLY440
|
4.4
|
63.8
|
1.0
|
|
N
|
A:GLY440
|
4.4
|
66.5
|
1.0
|
|
N
|
A:ILE444
|
4.4
|
72.5
|
1.0
|
|
OD1
|
A:ASP337
|
4.5
|
61.0
|
1.0
|
|
CA
|
A:ILE444
|
4.5
|
66.2
|
1.0
|
|
CA
|
A:ILE439
|
4.5
|
63.3
|
1.0
|
|
N
|
A:ILE439
|
4.6
|
62.0
|
1.0
|
|
N
|
A:VAL447
|
4.6
|
59.6
|
1.0
|
|
O
|
A:GLY445
|
4.7
|
67.5
|
1.0
|
|
CB
|
A:ILE439
|
4.8
|
53.4
|
1.0
|
|
CB
|
A:ASN442
|
4.8
|
59.1
|
1.0
|
|
N
|
A:ASN442
|
4.9
|
67.8
|
1.0
|
|
CD1
|
A:ILE444
|
4.9
|
58.2
|
1.0
|
|
C
|
A:GLY440
|
5.0
|
65.4
|
1.0
|
|
Calcium binding site 5 out
of 8 in 8pol
Go back to
Calcium Binding Sites List in 8pol
Calcium binding site 5 out
of 8 in the Crystal Structure of Plasmodium Falciparum SUB1 Protease
 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 Plasmodium Falciparum SUB1 Protease within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Ca701
b:107.6
occ:1.00
|
O
|
B:ASN145
|
2.5
|
109.4
|
1.0
|
|
O
|
B:THR148
|
2.7
|
109.1
|
1.0
|
|
O
|
B:PRO150
|
2.8
|
116.2
|
1.0
|
|
OG1
|
B:THR148
|
3.0
|
127.8
|
1.0
|
|
O
|
B:GLY205
|
3.3
|
118.2
|
1.0
|
|
OE1
|
B:GLU144
|
3.3
|
109.4
|
1.0
|
|
C
|
B:THR148
|
3.5
|
117.8
|
1.0
|
|
C
|
B:PRO150
|
3.5
|
119.6
|
1.0
|
|
C
|
B:ASN145
|
3.7
|
109.4
|
1.0
|
|
CA
|
B:SER151
|
3.8
|
108.8
|
1.0
|
|
CA
|
B:GLY205
|
3.8
|
109.5
|
1.0
|
|
N
|
B:SER151
|
3.9
|
112.7
|
1.0
|
|
C
|
B:GLY205
|
4.0
|
114.3
|
1.0
|
|
CB
|
B:THR148
|
4.0
|
110.7
|
1.0
|
|
CD
|
B:GLU144
|
4.1
|
117.5
|
1.0
|
|
CA
|
B:THR148
|
4.1
|
118.5
|
1.0
|
|
N
|
B:PRO150
|
4.3
|
106.3
|
1.0
|
|
N
|
B:THR148
|
4.3
|
117.5
|
1.0
|
|
N
|
B:THR149
|
4.3
|
117.0
|
1.0
|
|
N
|
B:PHE152
|
4.4
|
100.5
|
1.0
|
|
C
|
B:THR149
|
4.4
|
116.5
|
1.0
|
|
CA
|
B:PRO150
|
4.5
|
97.8
|
1.0
|
|
N
|
B:ASN145
|
4.5
|
103.9
|
1.0
|
|
CA
|
B:ASN145
|
4.5
|
109.2
|
1.0
|
|
C
|
B:SER151
|
4.6
|
108.8
|
1.0
|
|
CG
|
B:GLU144
|
4.6
|
116.8
|
1.0
|
|
N
|
B:HIS146
|
4.6
|
106.8
|
1.0
|
|
CB
|
B:ASN145
|
4.7
|
113.8
|
1.0
|
|
CD
|
B:PRO150
|
4.7
|
104.1
|
1.0
|
|
CA
|
B:HIS146
|
4.7
|
112.6
|
1.0
|
|
O
|
B:THR149
|
4.7
|
112.7
|
1.0
|
|
CA
|
B:THR149
|
4.8
|
119.8
|
1.0
|
|
CB
|
B:SER151
|
4.9
|
112.1
|
1.0
|
|
C
|
B:HIS146
|
4.9
|
116.3
|
1.0
|
|
OE2
|
B:GLU144
|
5.0
|
120.0
|
1.0
|
|
Calcium binding site 6 out
of 8 in 8pol
Go back to
Calcium Binding Sites List in 8pol
Calcium binding site 6 out
of 8 in the Crystal Structure of Plasmodium Falciparum SUB1 Protease
 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 Plasmodium Falciparum SUB1 Protease within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Ca702
b:88.7
occ:1.00
|
O
|
B:ARG396
|
2.3
|
116.5
|
1.0
|
|
OD1
|
B:ASP408
|
2.3
|
108.6
|
1.0
|
|
OE1
|
B:GLU392
|
2.4
|
81.7
|
1.0
|
|
OD2
|
B:ASP401
|
2.4
|
96.2
|
1.0
|
|
O
|
B:PHE399
|
2.9
|
94.0
|
1.0
|
|
C
|
B:ARG396
|
3.4
|
116.0
|
1.0
|
|
CG
|
B:ASP408
|
3.4
|
101.3
|
1.0
|
|
CD
|
B:GLU392
|
3.6
|
79.4
|
1.0
|
|
CG
|
B:ASP401
|
3.7
|
98.4
|
1.0
|
|
O
|
B:GLU392
|
3.8
|
71.7
|
1.0
|
|
CA
|
B:ASP408
|
3.8
|
72.9
|
1.0
|
|
N
|
B:ASP408
|
4.0
|
75.4
|
1.0
|
|
C
|
B:PHE399
|
4.1
|
96.7
|
1.0
|
|
CA
|
B:LYS397
|
4.1
|
114.1
|
1.0
|
|
CB
|
B:ASP408
|
4.2
|
79.7
|
1.0
|
|
N
|
B:LYS397
|
4.2
|
113.8
|
1.0
|
|
N
|
B:PHE399
|
4.2
|
99.2
|
1.0
|
|
C
|
B:GLY395
|
4.2
|
103.0
|
1.0
|
|
O
|
B:GLY395
|
4.2
|
105.8
|
1.0
|
|
OE2
|
B:GLU392
|
4.2
|
81.2
|
1.0
|
|
OD2
|
B:ASP408
|
4.3
|
104.3
|
1.0
|
|
N
|
B:ARG396
|
4.3
|
114.4
|
1.0
|
|
CA
|
B:ARG396
|
4.4
|
111.6
|
1.0
|
|
CA
|
B:GLU392
|
4.4
|
87.3
|
1.0
|
|
N
|
B:GLY398
|
4.5
|
97.4
|
1.0
|
|
CB
|
B:GLU392
|
4.5
|
79.0
|
1.0
|
|
OD1
|
B:ASP401
|
4.5
|
107.0
|
1.0
|
|
C
|
B:LYS397
|
4.5
|
100.6
|
1.0
|
|
C
|
B:GLU392
|
4.6
|
82.0
|
1.0
|
|
CB
|
B:ASP401
|
4.6
|
94.4
|
1.0
|
|
CG
|
B:GLU392
|
4.6
|
72.1
|
1.0
|
|
CA
|
B:PHE399
|
4.6
|
104.0
|
1.0
|
|
N
|
B:ASP401
|
4.8
|
101.4
|
1.0
|
|
CA
|
B:GLY395
|
4.8
|
93.8
|
1.0
|
|
Calcium binding site 7 out
of 8 in 8pol
Go back to
Calcium Binding Sites List in 8pol
Calcium binding site 7 out
of 8 in the Crystal Structure of Plasmodium Falciparum SUB1 Protease
 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 Plasmodium Falciparum SUB1 Protease within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Ca703
b:72.0
occ:1.00
|
OD1
|
B:ASN404
|
2.1
|
78.3
|
1.0
|
|
OE2
|
B:GLU392
|
2.2
|
81.2
|
1.0
|
|
OD1
|
B:ASP409
|
2.3
|
70.2
|
1.0
|
|
OD1
|
B:ASP400
|
2.3
|
101.5
|
1.0
|
|
O
|
B:ILE406
|
2.3
|
86.2
|
1.0
|
|
OD1
|
B:ASP402
|
2.4
|
85.7
|
1.0
|
|
CG
|
B:ASN404
|
3.1
|
77.5
|
1.0
|
|
CD
|
B:GLU392
|
3.3
|
79.4
|
1.0
|
|
CG
|
B:ASP400
|
3.3
|
100.3
|
1.0
|
|
CG
|
B:ASP402
|
3.4
|
82.9
|
1.0
|
|
CG
|
B:ASP409
|
3.4
|
68.3
|
1.0
|
|
ND2
|
B:ASN404
|
3.5
|
76.4
|
1.0
|
|
C
|
B:ILE406
|
3.5
|
77.6
|
1.0
|
|
CG
|
B:GLU392
|
3.6
|
72.1
|
1.0
|
|
OD2
|
B:ASP402
|
3.7
|
79.4
|
1.0
|
|
OD2
|
B:ASP409
|
3.9
|
70.2
|
1.0
|
|
CA
|
B:ASP400
|
4.1
|
99.1
|
1.0
|
|
OD2
|
B:ASP400
|
4.1
|
101.3
|
1.0
|
|
N
|
B:ILE406
|
4.1
|
88.8
|
1.0
|
|
CB
|
B:ASP400
|
4.2
|
94.9
|
1.0
|
|
N
|
B:ASP402
|
4.2
|
91.1
|
1.0
|
|
CA
|
B:ILE406
|
4.2
|
77.4
|
1.0
|
|
N
|
B:ASP401
|
4.3
|
101.4
|
1.0
|
|
N
|
B:ASN404
|
4.3
|
95.7
|
1.0
|
|
OE1
|
B:GLU392
|
4.4
|
81.7
|
1.0
|
|
CB
|
B:ASN404
|
4.4
|
89.3
|
1.0
|
|
C
|
B:ASP400
|
4.4
|
104.6
|
1.0
|
|
CB
|
B:ILE406
|
4.5
|
73.0
|
1.0
|
|
N
|
B:VAL407
|
4.5
|
75.4
|
1.0
|
|
N
|
B:ASP409
|
4.6
|
62.0
|
1.0
|
|
CB
|
B:ASP409
|
4.6
|
66.9
|
1.0
|
|
CB
|
B:ASP402
|
4.7
|
84.7
|
1.0
|
|
N
|
B:ASN403
|
4.7
|
94.0
|
1.0
|
|
N
|
B:ASP408
|
4.7
|
75.4
|
1.0
|
|
ND2
|
B:ASN389
|
4.7
|
73.8
|
1.0
|
|
CA
|
B:VAL407
|
4.8
|
87.1
|
1.0
|
|
CA
|
B:ASN404
|
4.8
|
98.0
|
1.0
|
|
CA
|
B:ASP402
|
4.8
|
99.2
|
1.0
|
|
N
|
B:GLY405
|
4.8
|
82.1
|
1.0
|
|
C
|
B:ASP402
|
4.9
|
96.2
|
1.0
|
|
C
|
B:ASN404
|
5.0
|
85.6
|
1.0
|
|
C
|
B:VAL407
|
5.0
|
80.5
|
1.0
|
|
Calcium binding site 8 out
of 8 in 8pol
Go back to
Calcium Binding Sites List in 8pol
Calcium binding site 8 out
of 8 in the Crystal Structure of Plasmodium Falciparum SUB1 Protease
 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 Plasmodium Falciparum SUB1 Protease within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Ca704
b:51.3
occ:1.00
|
O
|
B:ILE439
|
2.2
|
50.9
|
1.0
|
|
OD2
|
B:ASP337
|
2.2
|
70.2
|
1.0
|
|
OD1
|
B:ASN442
|
2.3
|
68.6
|
1.0
|
|
OD1
|
B:ASP381
|
2.3
|
53.7
|
1.0
|
|
O
|
B:ILE444
|
2.4
|
61.8
|
1.0
|
|
O
|
B:VAL446
|
2.7
|
66.5
|
1.0
|
|
OD2
|
B:ASP381
|
2.8
|
61.7
|
1.0
|
|
CG
|
B:ASP381
|
2.9
|
58.8
|
1.0
|
|
CG
|
B:ASN442
|
3.3
|
60.1
|
1.0
|
|
CG
|
B:ASP337
|
3.4
|
63.7
|
1.0
|
|
C
|
B:ILE439
|
3.4
|
57.2
|
1.0
|
|
C
|
B:ILE444
|
3.6
|
64.1
|
1.0
|
|
N
|
B:VAL446
|
3.7
|
51.0
|
1.0
|
|
C
|
B:VAL446
|
3.7
|
60.9
|
1.0
|
|
ND2
|
B:ASN442
|
3.7
|
64.3
|
1.0
|
|
CB
|
B:ASP337
|
4.0
|
61.0
|
1.0
|
|
CG1
|
B:ILE444
|
4.1
|
54.8
|
1.0
|
|
C
|
B:GLY445
|
4.2
|
50.1
|
1.0
|
|
CA
|
B:GLY440
|
4.3
|
59.2
|
1.0
|
|
N
|
B:GLY440
|
4.3
|
57.4
|
1.0
|
|
OD1
|
B:ASP337
|
4.3
|
55.4
|
1.0
|
|
CA
|
B:ILE439
|
4.4
|
49.5
|
1.0
|
|
CA
|
B:VAL446
|
4.4
|
57.7
|
1.0
|
|
CB
|
B:ASP381
|
4.4
|
47.0
|
1.0
|
|
N
|
B:ILE444
|
4.4
|
60.6
|
1.0
|
|
N
|
B:ILE439
|
4.5
|
50.9
|
1.0
|
|
N
|
B:GLY445
|
4.5
|
60.9
|
1.0
|
|
CA
|
B:ILE444
|
4.5
|
61.1
|
1.0
|
|
CA
|
B:GLY445
|
4.5
|
53.5
|
1.0
|
|
CB
|
B:ILE439
|
4.6
|
52.0
|
1.0
|
|
CB
|
B:ASN442
|
4.7
|
55.8
|
1.0
|
|
N
|
B:ASN442
|
4.7
|
54.4
|
1.0
|
|
N
|
B:VAL447
|
4.8
|
54.4
|
1.0
|
|
C
|
B:GLY440
|
4.8
|
69.5
|
1.0
|
|
CD1
|
B:ILE444
|
4.8
|
50.7
|
1.0
|
|
O
|
B:GLY445
|
4.9
|
52.8
|
1.0
|
|
CB
|
B:ILE444
|
4.9
|
52.3
|
1.0
|
|
Reference:
M.Martinez,
A.Bouillon,
S.Brule,
B.Raynal,
A.Haouz,
P.M.Alzari,
J.C.Barale.
Prodomain-Driven Enzyme Dimerization: A pH-Dependent Autoinhibition Mechanism That Controls Plasmodium SUB1 Activity Before Merozoite Egress. Mbio 19824 2024.
ISSN: ESSN 2150-7511
PubMed: 38386597
DOI: 10.1128/MBIO.00198-24
Page generated: Fri Jul 19 11:11:51 2024
|
