Sodium in PDB 7jr1: Crystal Structure of the R64F Mutant of Bauhinia Bauhinioides Kallikrein Inhibitor Complexed with Bovine Trypsin
Enzymatic activity of Crystal Structure of the R64F Mutant of Bauhinia Bauhinioides Kallikrein Inhibitor Complexed with Bovine Trypsin
All present enzymatic activity of Crystal Structure of the R64F Mutant of Bauhinia Bauhinioides Kallikrein Inhibitor Complexed with Bovine Trypsin:
3.4.21.4;
Protein crystallography data
The structure of Crystal Structure of the R64F Mutant of Bauhinia Bauhinioides Kallikrein Inhibitor Complexed with Bovine Trypsin, PDB code: 7jr1
was solved by
M.Li,
A.Wlodawer,
A.Gustchina,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
89.66 /
2.05
|
Space group
|
P 64
|
Cell size a, b, c (Å), α, β, γ (°)
|
207.063,
207.063,
107.23,
90,
90,
120
|
R / Rfree (%)
|
17.2 /
22
|
Sodium Binding Sites:
The binding sites of Sodium atom in the Crystal Structure of the R64F Mutant of Bauhinia Bauhinioides Kallikrein Inhibitor Complexed with Bovine Trypsin
(pdb code 7jr1). This binding sites where shown within
5.0 Angstroms radius around Sodium atom.
In total 4 binding sites of Sodium where determined in the
Crystal Structure of the R64F Mutant of Bauhinia Bauhinioides Kallikrein Inhibitor Complexed with Bovine Trypsin, PDB code: 7jr1:
Jump to Sodium binding site number:
1;
2;
3;
4;
Sodium binding site 1 out
of 4 in 7jr1
Go back to
Sodium Binding Sites List in 7jr1
Sodium binding site 1 out
of 4 in the Crystal Structure of the R64F Mutant of Bauhinia Bauhinioides Kallikrein Inhibitor Complexed with Bovine Trypsin
Mono view
Stereo pair view
|
A full contact list of Sodium with other atoms in the Na binding
site number 1 of Crystal Structure of the R64F Mutant of Bauhinia Bauhinioides Kallikrein Inhibitor Complexed with Bovine Trypsin within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Na301
b:38.8
occ:1.00
|
OH
|
C:TYR29
|
2.4
|
41.3
|
1.0
|
O
|
C:LEU137
|
3.0
|
37.5
|
1.0
|
OG
|
C:SER139
|
3.1
|
40.9
|
1.0
|
CZ
|
C:TYR29
|
3.2
|
43.9
|
1.0
|
CE1
|
C:TYR29
|
3.3
|
42.0
|
1.0
|
CG
|
C:PRO198
|
3.4
|
40.5
|
1.0
|
CB
|
C:SER139
|
3.7
|
37.9
|
1.0
|
C
|
C:LEU137
|
3.7
|
39.7
|
1.0
|
CB
|
C:PRO198
|
3.8
|
38.6
|
1.0
|
CG1
|
C:VAL27
|
3.8
|
41.6
|
1.0
|
CG
|
C:LEU137
|
3.9
|
41.5
|
1.0
|
O
|
C:PRO198
|
3.9
|
44.1
|
1.0
|
N
|
C:SER139
|
4.0
|
39.1
|
1.0
|
CD2
|
C:LEU137
|
4.0
|
42.0
|
1.0
|
CB
|
C:LEU137
|
4.2
|
40.4
|
1.0
|
CG2
|
C:VAL200
|
4.2
|
42.1
|
1.0
|
C
|
C:PRO198
|
4.3
|
41.7
|
1.0
|
C
|
C:ILE138
|
4.3
|
39.1
|
1.0
|
CB
|
C:VAL200
|
4.3
|
42.4
|
1.0
|
N
|
C:ILE138
|
4.4
|
41.5
|
1.0
|
CA
|
C:ILE138
|
4.4
|
39.2
|
1.0
|
N
|
C:VAL200
|
4.5
|
40.5
|
1.0
|
CE2
|
C:TYR29
|
4.5
|
43.0
|
1.0
|
CA
|
C:SER139
|
4.5
|
38.4
|
1.0
|
CD1
|
C:TYR29
|
4.6
|
42.3
|
1.0
|
CA
|
C:LEU137
|
4.6
|
41.3
|
1.0
|
CA
|
C:PRO198
|
4.7
|
39.7
|
1.0
|
CD
|
C:PRO198
|
4.8
|
39.3
|
1.0
|
CG2
|
C:VAL27
|
5.0
|
40.6
|
1.0
|
N
|
C:VAL199
|
5.0
|
41.0
|
1.0
|
|
Sodium binding site 2 out
of 4 in 7jr1
Go back to
Sodium Binding Sites List in 7jr1
Sodium binding site 2 out
of 4 in the Crystal Structure of the R64F Mutant of Bauhinia Bauhinioides Kallikrein Inhibitor Complexed with Bovine Trypsin
Mono view
Stereo pair view
|
A full contact list of Sodium with other atoms in the Na binding
site number 2 of Crystal Structure of the R64F Mutant of Bauhinia Bauhinioides Kallikrein Inhibitor Complexed with Bovine Trypsin within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Na301
b:40.5
occ:1.00
|
OG
|
E:SER139
|
2.7
|
34.7
|
1.0
|
O
|
E:LEU137
|
2.8
|
31.9
|
1.0
|
OH
|
E:TYR29
|
3.0
|
37.3
|
1.0
|
C
|
E:LEU137
|
3.5
|
34.2
|
1.0
|
CG
|
E:PRO198
|
3.7
|
28.8
|
1.0
|
O
|
E:PRO198
|
3.7
|
27.8
|
1.0
|
CE1
|
E:TYR29
|
3.8
|
32.9
|
1.0
|
CG2
|
E:VAL200
|
3.9
|
32.1
|
1.0
|
N
|
E:SER139
|
3.9
|
31.7
|
1.0
|
CB
|
E:SER139
|
3.9
|
31.1
|
1.0
|
CZ
|
E:TYR29
|
3.9
|
35.1
|
1.0
|
CB
|
E:LEU137
|
4.0
|
36.4
|
1.0
|
CG
|
E:LEU137
|
4.0
|
37.9
|
1.0
|
CB
|
E:PRO198
|
4.1
|
28.8
|
1.0
|
N
|
E:ILE138
|
4.1
|
33.3
|
1.0
|
CD2
|
E:LEU137
|
4.1
|
39.5
|
1.0
|
CA
|
E:ILE138
|
4.1
|
32.5
|
1.0
|
C
|
E:ILE138
|
4.2
|
32.3
|
1.0
|
CG1
|
E:VAL27
|
4.2
|
36.3
|
1.0
|
C
|
E:PRO198
|
4.2
|
28.1
|
1.0
|
CB
|
E:VAL200
|
4.3
|
31.1
|
1.0
|
N
|
E:VAL200
|
4.3
|
31.4
|
1.0
|
CA
|
E:LEU137
|
4.3
|
34.9
|
1.0
|
CA
|
E:SER139
|
4.5
|
31.5
|
1.0
|
CA
|
E:PRO198
|
4.8
|
28.2
|
1.0
|
N
|
E:VAL199
|
4.9
|
27.3
|
1.0
|
CD
|
E:PRO198
|
4.9
|
30.4
|
1.0
|
CA
|
E:VAL199
|
4.9
|
30.3
|
1.0
|
O
|
E:ILE138
|
4.9
|
30.7
|
1.0
|
CA
|
E:VAL200
|
5.0
|
31.4
|
1.0
|
|
Sodium binding site 3 out
of 4 in 7jr1
Go back to
Sodium Binding Sites List in 7jr1
Sodium binding site 3 out
of 4 in the Crystal Structure of the R64F Mutant of Bauhinia Bauhinioides Kallikrein Inhibitor Complexed with Bovine Trypsin
Mono view
Stereo pair view
|
A full contact list of Sodium with other atoms in the Na binding
site number 3 of Crystal Structure of the R64F Mutant of Bauhinia Bauhinioides Kallikrein Inhibitor Complexed with Bovine Trypsin within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
I:Na201
b:46.1
occ:1.00
|
O
|
I:GLY9
|
2.8
|
39.5
|
1.0
|
C
|
I:GLY9
|
3.7
|
38.0
|
1.0
|
CA
|
I:GLY9
|
4.0
|
38.8
|
1.0
|
NE2
|
I:GLN10
|
4.4
|
50.9
|
1.0
|
O
|
I:ASN8
|
4.5
|
43.1
|
1.0
|
N
|
I:GLN10
|
4.8
|
39.5
|
1.0
|
|
Sodium binding site 4 out
of 4 in 7jr1
Go back to
Sodium Binding Sites List in 7jr1
Sodium binding site 4 out
of 4 in the Crystal Structure of the R64F Mutant of Bauhinia Bauhinioides Kallikrein Inhibitor Complexed with Bovine Trypsin
Mono view
Stereo pair view
|
A full contact list of Sodium with other atoms in the Na binding
site number 4 of Crystal Structure of the R64F Mutant of Bauhinia Bauhinioides Kallikrein Inhibitor Complexed with Bovine Trypsin within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
L:Na201
b:39.1
occ:1.00
|
O
|
L:VAL100
|
2.7
|
38.4
|
1.0
|
O
|
L:LEU147
|
3.0
|
38.0
|
1.0
|
O
|
L:VAL45
|
3.0
|
44.6
|
1.0
|
CB
|
L:ALA44
|
3.5
|
41.4
|
1.0
|
N
|
L:VAL45
|
3.5
|
43.1
|
1.0
|
N
|
L:VAL100
|
3.7
|
37.0
|
1.0
|
CB
|
L:ALA99
|
3.8
|
38.9
|
1.0
|
C
|
L:VAL100
|
3.8
|
37.3
|
1.0
|
CD2
|
L:TYR146
|
3.8
|
51.4
|
1.0
|
N
|
L:LEU147
|
3.9
|
42.0
|
1.0
|
CA
|
L:ALA44
|
3.9
|
44.2
|
1.0
|
C
|
L:ALA44
|
4.0
|
41.5
|
1.0
|
C
|
L:VAL45
|
4.0
|
42.2
|
1.0
|
CB
|
L:TYR146
|
4.1
|
49.6
|
1.0
|
C
|
L:LEU147
|
4.1
|
38.6
|
1.0
|
CA
|
L:ALA99
|
4.2
|
38.7
|
1.0
|
C
|
L:ALA99
|
4.2
|
38.0
|
1.0
|
C
|
L:TYR146
|
4.2
|
45.4
|
1.0
|
CA
|
L:VAL100
|
4.3
|
36.7
|
1.0
|
CA
|
L:TYR146
|
4.3
|
46.4
|
1.0
|
CA
|
L:VAL45
|
4.4
|
44.0
|
1.0
|
CG2
|
L:ILE96
|
4.4
|
51.1
|
1.0
|
CG
|
L:TYR146
|
4.4
|
50.5
|
1.0
|
CA
|
L:LEU147
|
4.5
|
40.6
|
1.0
|
CB
|
L:VAL100
|
4.6
|
33.9
|
1.0
|
CE2
|
L:TYR146
|
4.8
|
54.5
|
1.0
|
N
|
L:LYS101
|
4.9
|
36.4
|
1.0
|
O
|
L:ALA44
|
4.9
|
44.5
|
1.0
|
CB
|
L:LEU147
|
4.9
|
40.8
|
1.0
|
CB
|
L:VAL45
|
4.9
|
44.2
|
1.0
|
CG
|
L:LYS101
|
5.0
|
41.3
|
1.0
|
|
Reference:
M.Li,
J.Srp,
M.Mares,
A.Gustchina,
A.Wlodawer.
Structural Studies of the Complexes of Kallikrein 4 (KLK4) with the Wild-Type and Mutated Forms of the Knitz-Type Inhibitor Bbki To Be Published.
Page generated: Sat Aug 21 17:22:27 2021
|