Bromine in PDB 5tca: Complement Factor D Inhibited with JH3
Enzymatic activity of Complement Factor D Inhibited with JH3
All present enzymatic activity of Complement Factor D Inhibited with JH3:
3.4.21.46;
Protein crystallography data
The structure of Complement Factor D Inhibited with JH3, PDB code: 5tca
was solved by
J.A.Stuckey,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
|
Resolution Low / High (Å)
|
49.68 /
3.15
|
|
Space group
|
C 2 2 21
|
|
Cell size a, b, c (Å), α, β, γ (°)
|
99.361,
143.654,
347.592,
90.00,
90.00,
90.00
|
|
R / Rfree (%)
|
22.5 /
26.4
|
Bromine Binding Sites:
The binding sites of Bromine atom in the Complement Factor D Inhibited with JH3
(pdb code 5tca). This binding sites where shown within
5.0 Angstroms radius around Bromine atom.
In total 9 binding sites of Bromine where determined in the
Complement Factor D Inhibited with JH3, PDB code: 5tca:
Jump to Bromine binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
Bromine binding site 1 out
of 9 in 5tca
Go back to
Bromine Binding Sites List in 5tca
Bromine binding site 1 out
of 9 in the Complement Factor D Inhibited with JH3
 Mono view
 Stereo pair view
|
|
A full contact list of Bromine with other atoms in the Br binding
site number 1 of Complement Factor D Inhibited with JH3 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Br500
b:52.8
occ:1.00
|
BR
|
A:J55500
|
0.0
|
52.8
|
1.0
|
|
C
|
A:J55500
|
1.9
|
49.8
|
1.0
|
|
N
|
A:J55500
|
2.8
|
48.4
|
1.0
|
|
C17
|
A:J55500
|
2.8
|
45.5
|
1.0
|
|
O
|
A:TRP143
|
3.4
|
46.0
|
1.0
|
|
CG
|
A:ARG152
|
3.7
|
38.7
|
1.0
|
|
NH1
|
A:ARG152
|
3.8
|
46.6
|
1.0
|
|
CD2
|
A:HIS39
|
3.9
|
40.1
|
1.0
|
|
CZ
|
A:ARG152
|
3.9
|
57.1
|
1.0
|
|
CA
|
A:GLY144
|
3.9
|
38.2
|
1.0
|
|
C1
|
A:J55500
|
4.0
|
45.1
|
1.0
|
|
N
|
A:ILE145
|
4.0
|
39.0
|
1.0
|
|
CA
|
A:GLY196
|
4.1
|
26.5
|
1.0
|
|
C16
|
A:J55500
|
4.1
|
41.8
|
1.0
|
|
C
|
A:GLY144
|
4.2
|
42.1
|
1.0
|
|
NE
|
A:ARG152
|
4.2
|
37.8
|
1.0
|
|
O
|
A:LYS195
|
4.2
|
31.6
|
1.0
|
|
C
|
A:TRP143
|
4.3
|
45.0
|
1.0
|
|
NH2
|
A:ARG152
|
4.3
|
34.9
|
1.0
|
|
CG2
|
A:ILE145
|
4.3
|
42.0
|
1.0
|
|
CD
|
A:ARG152
|
4.5
|
35.4
|
1.0
|
|
CB
|
A:ARG152
|
4.5
|
32.6
|
1.0
|
|
N
|
A:GLY144
|
4.5
|
38.6
|
1.0
|
|
C15
|
A:J55500
|
4.6
|
42.7
|
1.0
|
|
NE2
|
A:HIS39
|
4.6
|
40.0
|
1.0
|
|
C
|
A:LYS195
|
4.8
|
32.0
|
1.0
|
|
N
|
A:GLY196
|
4.8
|
26.8
|
1.0
|
|
CA
|
A:ARG152
|
4.8
|
34.4
|
1.0
|
|
O
|
A:HIS39
|
4.8
|
37.1
|
1.0
|
|
CA
|
A:ILE145
|
4.9
|
39.2
|
1.0
|
|
CG
|
A:HIS39
|
4.9
|
38.4
|
1.0
|
|
Bromine binding site 2 out
of 9 in 5tca
Go back to
Bromine Binding Sites List in 5tca
Bromine binding site 2 out
of 9 in the Complement Factor D Inhibited with JH3
 Mono view
 Stereo pair view
|
|
A full contact list of Bromine with other atoms in the Br binding
site number 2 of Complement Factor D Inhibited with JH3 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Br500
b:55.8
occ:1.00
|
BR
|
B:J55500
|
0.0
|
55.8
|
1.0
|
|
C
|
B:J55500
|
1.9
|
47.9
|
1.0
|
|
N
|
B:J55500
|
2.7
|
46.4
|
1.0
|
|
C17
|
B:J55500
|
2.8
|
43.1
|
1.0
|
|
O
|
B:TRP143
|
3.5
|
43.3
|
1.0
|
|
CG
|
B:ARG152
|
3.8
|
38.9
|
1.0
|
|
CZ
|
B:ARG152
|
3.8
|
68.0
|
1.0
|
|
NH1
|
B:ARG152
|
3.9
|
55.6
|
1.0
|
|
CA
|
B:GLY144
|
3.9
|
34.5
|
1.0
|
|
CD2
|
B:HIS39
|
4.0
|
45.8
|
1.0
|
|
N
|
B:ILE145
|
4.0
|
32.4
|
1.0
|
|
C1
|
B:J55500
|
4.0
|
46.4
|
1.0
|
|
C16
|
B:J55500
|
4.1
|
41.8
|
1.0
|
|
NE
|
B:ARG152
|
4.1
|
46.4
|
1.0
|
|
CA
|
B:GLY196
|
4.1
|
33.5
|
1.0
|
|
C
|
B:GLY144
|
4.1
|
38.1
|
1.0
|
|
O
|
B:LYS195
|
4.2
|
41.6
|
1.0
|
|
NH2
|
B:ARG152
|
4.2
|
61.8
|
1.0
|
|
CG2
|
B:ILE145
|
4.3
|
35.5
|
1.0
|
|
C
|
B:TRP143
|
4.3
|
44.1
|
1.0
|
|
CD
|
B:ARG152
|
4.5
|
40.7
|
1.0
|
|
N
|
B:GLY144
|
4.6
|
36.7
|
1.0
|
|
C15
|
B:J55500
|
4.6
|
43.7
|
1.0
|
|
CB
|
B:ARG152
|
4.6
|
32.0
|
1.0
|
|
NE2
|
B:HIS39
|
4.6
|
45.5
|
1.0
|
|
C
|
B:LYS195
|
4.8
|
39.7
|
1.0
|
|
N
|
B:GLY196
|
4.8
|
33.8
|
1.0
|
|
CA
|
B:ILE145
|
4.8
|
31.9
|
1.0
|
|
O
|
B:HIS39
|
4.8
|
47.4
|
1.0
|
|
CA
|
B:ARG152
|
4.9
|
35.4
|
1.0
|
|
O
|
B:GLY144
|
5.0
|
40.6
|
1.0
|
|
Bromine binding site 3 out
of 9 in 5tca
Go back to
Bromine Binding Sites List in 5tca
Bromine binding site 3 out
of 9 in the Complement Factor D Inhibited with JH3
 Mono view
 Stereo pair view
|
|
A full contact list of Bromine with other atoms in the Br binding
site number 3 of Complement Factor D Inhibited with JH3 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Br301
b:55.4
occ:1.00
|
BR
|
C:J55301
|
0.0
|
55.4
|
1.0
|
|
C
|
C:J55301
|
1.9
|
50.2
|
1.0
|
|
N
|
C:J55301
|
2.7
|
51.2
|
1.0
|
|
C17
|
C:J55301
|
2.8
|
46.4
|
1.0
|
|
O
|
C:TRP143
|
3.4
|
36.7
|
1.0
|
|
CA
|
C:GLY144
|
3.9
|
34.3
|
1.0
|
|
CD2
|
C:HIS39
|
3.9
|
46.6
|
1.0
|
|
CA
|
C:GLY196
|
4.0
|
24.9
|
1.0
|
|
C1
|
C:J55301
|
4.0
|
52.0
|
1.0
|
|
N
|
C:ILE145
|
4.1
|
31.3
|
1.0
|
|
C16
|
C:J55301
|
4.1
|
48.3
|
1.0
|
|
C
|
C:GLY144
|
4.1
|
37.3
|
1.0
|
|
O
|
C:LYS195
|
4.2
|
27.8
|
1.0
|
|
C
|
C:TRP143
|
4.3
|
38.0
|
1.0
|
|
CG2
|
C:ILE145
|
4.5
|
34.6
|
1.0
|
|
N
|
C:GLY144
|
4.5
|
34.4
|
1.0
|
|
NE2
|
C:HIS39
|
4.5
|
46.8
|
1.0
|
|
CB
|
C:ARG152
|
4.6
|
31.1
|
1.0
|
|
C15
|
C:J55301
|
4.6
|
51.0
|
1.0
|
|
N
|
C:GLY196
|
4.7
|
24.2
|
1.0
|
|
C
|
C:LYS195
|
4.7
|
27.6
|
1.0
|
|
O
|
C:HIS39
|
4.9
|
47.9
|
1.0
|
|
C
|
C:GLY196
|
4.9
|
34.3
|
1.0
|
|
CA
|
C:ILE145
|
4.9
|
32.1
|
1.0
|
|
CG
|
C:HIS39
|
4.9
|
46.4
|
1.0
|
|
O
|
C:GLY144
|
5.0
|
37.6
|
1.0
|
|
N1
|
C:J55301
|
5.0
|
52.5
|
1.0
|
|
Bromine binding site 4 out
of 9 in 5tca
Go back to
Bromine Binding Sites List in 5tca
Bromine binding site 4 out
of 9 in the Complement Factor D Inhibited with JH3
 Mono view
 Stereo pair view
|
|
A full contact list of Bromine with other atoms in the Br binding
site number 4 of Complement Factor D Inhibited with JH3 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Br302
b:89.6
occ:1.00
|
BR
|
C:J55302
|
0.0
|
89.6
|
1.0
|
|
C
|
C:J55302
|
1.9
|
74.0
|
1.0
|
|
N
|
C:J55302
|
2.8
|
66.4
|
1.0
|
|
C17
|
C:J55302
|
2.8
|
65.7
|
1.0
|
|
CE1
|
C:HIS158
|
3.5
|
43.9
|
1.0
|
|
O
|
C:HIS158
|
3.5
|
38.6
|
1.0
|
|
NE2
|
C:HIS158
|
3.6
|
44.4
|
1.0
|
|
NH1
|
C:ARG20
|
3.7
|
79.0
|
1.0
|
|
CG
|
C:ARG20
|
3.7
|
38.3
|
1.0
|
|
CD
|
C:ARG20
|
3.7
|
58.9
|
1.0
|
|
CA
|
C:VAL159
|
3.8
|
31.4
|
1.0
|
|
N
|
C:LEU160
|
3.9
|
37.2
|
1.0
|
|
NE
|
C:ARG20
|
4.0
|
72.7
|
1.0
|
|
C1
|
C:J55302
|
4.0
|
60.0
|
1.0
|
|
ND1
|
C:HIS158
|
4.0
|
43.6
|
1.0
|
|
CZ
|
C:ARG20
|
4.0
|
92.4
|
1.0
|
|
C16
|
C:J55302
|
4.1
|
61.3
|
1.0
|
|
C
|
C:HIS158
|
4.2
|
39.2
|
1.0
|
|
CD2
|
C:HIS158
|
4.2
|
44.6
|
1.0
|
|
C
|
C:VAL159
|
4.2
|
39.0
|
1.0
|
|
N
|
C:VAL159
|
4.3
|
33.8
|
1.0
|
|
CG
|
C:LEU160
|
4.3
|
42.2
|
1.0
|
|
CG
|
C:HIS158
|
4.4
|
41.8
|
1.0
|
|
N
|
C:ARG20
|
4.6
|
36.8
|
1.0
|
|
C15
|
C:J55302
|
4.6
|
60.4
|
1.0
|
|
CD1
|
C:LEU160
|
4.6
|
41.9
|
1.0
|
|
CB
|
C:ARG20
|
4.6
|
30.8
|
1.0
|
|
CB
|
C:LEU160
|
4.7
|
37.7
|
1.0
|
|
CA
|
C:GLY19
|
4.8
|
37.4
|
1.0
|
|
C
|
C:GLY19
|
4.9
|
41.6
|
1.0
|
|
CA
|
C:LEU160
|
4.9
|
37.8
|
1.0
|
|
NH2
|
C:ARG20
|
4.9
|
84.4
|
1.0
|
|
CB
|
C:VAL159
|
5.0
|
31.4
|
1.0
|
|
Bromine binding site 5 out
of 9 in 5tca
Go back to
Bromine Binding Sites List in 5tca
Bromine binding site 5 out
of 9 in the Complement Factor D Inhibited with JH3
 Mono view
 Stereo pair view
|
|
A full contact list of Bromine with other atoms in the Br binding
site number 5 of Complement Factor D Inhibited with JH3 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Br301
b:67.9
occ:1.00
|
BR
|
D:J55301
|
0.0
|
67.9
|
1.0
|
|
C
|
D:J55301
|
1.9
|
57.1
|
1.0
|
|
N
|
D:J55301
|
2.7
|
54.6
|
1.0
|
|
C17
|
D:J55301
|
2.8
|
52.7
|
1.0
|
|
O
|
D:TRP143
|
3.4
|
52.7
|
1.0
|
|
CG
|
D:ARG152
|
3.8
|
41.3
|
1.0
|
|
CD2
|
D:HIS39
|
3.9
|
45.1
|
1.0
|
|
CA
|
D:GLY144
|
3.9
|
41.1
|
1.0
|
|
C1
|
D:J55301
|
4.0
|
55.5
|
1.0
|
|
N
|
D:ILE145
|
4.0
|
34.6
|
1.0
|
|
CA
|
D:GLY196
|
4.0
|
32.5
|
1.0
|
|
C16
|
D:J55301
|
4.1
|
54.0
|
1.0
|
|
C
|
D:GLY144
|
4.1
|
41.4
|
1.0
|
|
O
|
D:LYS195
|
4.2
|
37.9
|
1.0
|
|
C
|
D:TRP143
|
4.3
|
50.4
|
1.0
|
|
CG2
|
D:ILE145
|
4.4
|
32.7
|
1.0
|
|
CD
|
D:ARG152
|
4.4
|
46.4
|
1.0
|
|
N
|
D:GLY144
|
4.5
|
42.4
|
1.0
|
|
NE2
|
D:HIS39
|
4.6
|
45.4
|
1.0
|
|
CB
|
D:ARG152
|
4.6
|
40.4
|
1.0
|
|
C15
|
D:J55301
|
4.6
|
57.0
|
1.0
|
|
NE
|
D:ARG152
|
4.7
|
56.2
|
1.0
|
|
C
|
D:LYS195
|
4.7
|
37.2
|
1.0
|
|
N
|
D:GLY196
|
4.7
|
33.5
|
1.0
|
|
CA
|
D:ILE145
|
4.9
|
33.6
|
1.0
|
|
O
|
D:HIS39
|
4.9
|
45.9
|
1.0
|
|
CA
|
D:ARG152
|
4.9
|
41.6
|
1.0
|
|
CG
|
D:HIS39
|
5.0
|
43.8
|
1.0
|
|
Bromine binding site 6 out
of 9 in 5tca
Go back to
Bromine Binding Sites List in 5tca
Bromine binding site 6 out
of 9 in the Complement Factor D Inhibited with JH3
 Mono view
 Stereo pair view
|
|
A full contact list of Bromine with other atoms in the Br binding
site number 6 of Complement Factor D Inhibited with JH3 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Br302
b:0.0
occ:1.00
|
BR
|
D:J55302
|
0.0
|
0.0
|
1.0
|
|
C
|
D:J55302
|
1.9
|
89.5
|
1.0
|
|
N
|
D:J55302
|
2.7
|
83.2
|
1.0
|
|
C17
|
D:J55302
|
2.8
|
83.7
|
1.0
|
|
CE1
|
D:HIS158
|
3.8
|
55.9
|
1.0
|
|
CA
|
D:VAL159
|
3.9
|
47.6
|
1.0
|
|
N
|
D:LEU160
|
3.9
|
47.3
|
1.0
|
|
O
|
D:HIS158
|
3.9
|
50.6
|
1.0
|
|
NE2
|
D:HIS158
|
4.0
|
56.6
|
1.0
|
|
CD
|
D:ARG20
|
4.0
|
78.6
|
1.0
|
|
C1
|
D:J55302
|
4.0
|
78.1
|
1.0
|
|
C16
|
D:J55302
|
4.1
|
80.0
|
1.0
|
|
NE
|
D:ARG20
|
4.2
|
0.5
|
1.0
|
|
ND1
|
D:HIS158
|
4.3
|
56.2
|
1.0
|
|
C
|
D:VAL159
|
4.3
|
50.1
|
1.0
|
|
CG
|
D:LEU160
|
4.3
|
49.6
|
1.0
|
|
CG
|
E:ASP63
|
4.4
|
0.9
|
1.0
|
|
CG
|
D:ARG20
|
4.4
|
51.7
|
1.0
|
|
CB
|
D:ARG20
|
4.4
|
36.9
|
1.0
|
|
N
|
D:ARG20
|
4.5
|
42.0
|
1.0
|
|
OD1
|
E:ASP63
|
4.5
|
0.6
|
1.0
|
|
C
|
D:HIS158
|
4.5
|
52.9
|
1.0
|
|
N
|
D:VAL159
|
4.5
|
49.7
|
1.0
|
|
CB
|
E:ASP63
|
4.5
|
0.4
|
1.0
|
|
CD1
|
D:LEU160
|
4.6
|
49.9
|
1.0
|
|
C15
|
D:J55302
|
4.6
|
78.8
|
1.0
|
|
CD2
|
D:HIS158
|
4.6
|
56.8
|
1.0
|
|
CB
|
D:LEU160
|
4.7
|
46.1
|
1.0
|
|
CG2
|
D:VAL159
|
4.7
|
49.5
|
1.0
|
|
OD2
|
E:ASP63
|
4.8
|
0.2
|
1.0
|
|
CG
|
D:HIS158
|
4.8
|
54.3
|
1.0
|
|
CB
|
D:VAL159
|
4.8
|
49.7
|
1.0
|
|
CA
|
D:GLY19
|
4.8
|
38.5
|
1.0
|
|
CA
|
D:LEU160
|
4.9
|
46.9
|
1.0
|
|
Bromine binding site 7 out
of 9 in 5tca
Go back to
Bromine Binding Sites List in 5tca
Bromine binding site 7 out
of 9 in the Complement Factor D Inhibited with JH3
 Mono view
 Stereo pair view
|
|
A full contact list of Bromine with other atoms in the Br binding
site number 7 of Complement Factor D Inhibited with JH3 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Br500
b:65.7
occ:1.00
|
BR
|
E:J55500
|
0.0
|
65.7
|
1.0
|
|
C
|
E:J55500
|
1.9
|
62.5
|
1.0
|
|
N
|
E:J55500
|
2.7
|
61.4
|
1.0
|
|
C17
|
E:J55500
|
2.8
|
63.6
|
1.0
|
|
O
|
E:TRP143
|
3.4
|
56.7
|
1.0
|
|
NH1
|
E:ARG152
|
3.7
|
47.0
|
1.0
|
|
CG
|
E:ARG152
|
3.8
|
39.4
|
1.0
|
|
CZ
|
E:ARG152
|
3.8
|
69.7
|
1.0
|
|
CD2
|
E:HIS39
|
3.9
|
69.6
|
1.0
|
|
CA
|
E:GLY144
|
3.9
|
52.1
|
1.0
|
|
C1
|
E:J55500
|
4.0
|
60.6
|
1.0
|
|
CA
|
E:GLY196
|
4.1
|
44.7
|
1.0
|
|
N
|
E:ILE145
|
4.1
|
46.4
|
1.0
|
|
C16
|
E:J55500
|
4.1
|
63.2
|
1.0
|
|
NE
|
E:ARG152
|
4.1
|
39.8
|
1.0
|
|
O
|
E:LYS195
|
4.2
|
45.4
|
1.0
|
|
C
|
E:GLY144
|
4.2
|
52.5
|
1.0
|
|
NH2
|
E:ARG152
|
4.3
|
75.2
|
1.0
|
|
C
|
E:TRP143
|
4.3
|
57.0
|
1.0
|
|
CG2
|
E:ILE145
|
4.3
|
45.4
|
1.0
|
|
CD
|
E:ARG152
|
4.5
|
29.1
|
1.0
|
|
N
|
E:GLY144
|
4.6
|
53.7
|
1.0
|
|
CB
|
E:ARG152
|
4.6
|
46.6
|
1.0
|
|
C15
|
E:J55500
|
4.6
|
60.8
|
1.0
|
|
NE2
|
E:HIS39
|
4.6
|
69.7
|
1.0
|
|
O
|
E:HIS39
|
4.7
|
69.1
|
1.0
|
|
N
|
E:GLY196
|
4.8
|
44.6
|
1.0
|
|
C
|
E:LYS195
|
4.8
|
47.2
|
1.0
|
|
CA
|
E:ARG152
|
4.9
|
50.5
|
1.0
|
|
CA
|
E:ILE145
|
4.9
|
45.0
|
1.0
|
|
CG
|
E:HIS39
|
5.0
|
67.4
|
1.0
|
|
Bromine binding site 8 out
of 9 in 5tca
Go back to
Bromine Binding Sites List in 5tca
Bromine binding site 8 out
of 9 in the Complement Factor D Inhibited with JH3
 Mono view
 Stereo pair view
|
|
A full contact list of Bromine with other atoms in the Br binding
site number 8 of Complement Factor D Inhibited with JH3 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
F:Br500
b:52.2
occ:1.00
|
BR
|
F:J55500
|
0.0
|
52.2
|
1.0
|
|
C
|
F:J55500
|
1.9
|
49.4
|
1.0
|
|
N
|
F:J55500
|
2.7
|
49.2
|
1.0
|
|
C17
|
F:J55500
|
2.8
|
49.8
|
1.0
|
|
O
|
F:TRP143
|
3.4
|
46.9
|
1.0
|
|
CA
|
F:GLY144
|
3.9
|
40.6
|
1.0
|
|
CD2
|
F:HIS39
|
3.9
|
46.6
|
1.0
|
|
C1
|
F:J55500
|
4.0
|
48.9
|
1.0
|
|
N
|
F:ILE145
|
4.0
|
41.8
|
1.0
|
|
O
|
G:HOH612
|
4.1
|
17.6
|
1.0
|
|
CA
|
F:GLY196
|
4.1
|
30.6
|
1.0
|
|
C16
|
F:J55500
|
4.1
|
51.2
|
1.0
|
|
C
|
F:GLY144
|
4.1
|
46.0
|
1.0
|
|
O
|
F:LYS195
|
4.2
|
33.3
|
1.0
|
|
C
|
F:TRP143
|
4.3
|
46.5
|
1.0
|
|
CG2
|
F:ILE145
|
4.3
|
41.7
|
1.0
|
|
CB
|
F:ARG152
|
4.5
|
27.6
|
1.0
|
|
N
|
F:GLY144
|
4.5
|
41.0
|
1.0
|
|
C15
|
F:J55500
|
4.6
|
51.0
|
1.0
|
|
NE2
|
F:HIS39
|
4.6
|
47.0
|
1.0
|
|
C
|
F:LYS195
|
4.8
|
34.1
|
1.0
|
|
N
|
F:GLY196
|
4.8
|
31.1
|
1.0
|
|
CA
|
F:ILE145
|
4.8
|
41.0
|
1.0
|
|
O
|
F:HIS39
|
4.9
|
46.5
|
1.0
|
|
CA
|
F:ARG152
|
4.9
|
32.5
|
1.0
|
|
O
|
F:GLY144
|
5.0
|
46.7
|
1.0
|
|
N1
|
F:J55500
|
5.0
|
48.0
|
1.0
|
|
Bromine binding site 9 out
of 9 in 5tca
Go back to
Bromine Binding Sites List in 5tca
Bromine binding site 9 out
of 9 in the Complement Factor D Inhibited with JH3
 Mono view
 Stereo pair view
|
|
A full contact list of Bromine with other atoms in the Br binding
site number 9 of Complement Factor D Inhibited with JH3 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
G:Br500
b:61.1
occ:1.00
|
BR
|
G:J55500
|
0.0
|
61.1
|
1.0
|
|
C
|
G:J55500
|
1.9
|
54.8
|
1.0
|
|
N
|
G:J55500
|
2.7
|
56.1
|
1.0
|
|
C17
|
G:J55500
|
2.8
|
50.1
|
1.0
|
|
O
|
G:TRP143
|
3.4
|
52.6
|
1.0
|
|
CA
|
G:GLY144
|
3.9
|
51.1
|
1.0
|
|
N
|
G:ILE145
|
3.9
|
48.9
|
1.0
|
|
CD2
|
G:HIS39
|
4.0
|
45.0
|
1.0
|
|
CA
|
G:GLY196
|
4.0
|
43.6
|
1.0
|
|
C1
|
G:J55500
|
4.0
|
54.9
|
1.0
|
|
O
|
G:LYS195
|
4.1
|
49.1
|
1.0
|
|
C
|
G:GLY144
|
4.1
|
54.5
|
1.0
|
|
C16
|
G:J55500
|
4.1
|
49.5
|
1.0
|
|
CG2
|
G:ILE145
|
4.3
|
52.0
|
1.0
|
|
O
|
F:HOH606
|
4.3
|
21.1
|
1.0
|
|
C
|
G:TRP143
|
4.3
|
53.4
|
1.0
|
|
N
|
G:GLY144
|
4.5
|
51.1
|
1.0
|
|
C15
|
G:J55500
|
4.6
|
51.2
|
1.0
|
|
CB
|
G:ARG152
|
4.6
|
32.1
|
1.0
|
|
NE2
|
G:HIS39
|
4.7
|
45.2
|
1.0
|
|
C
|
G:LYS195
|
4.7
|
46.9
|
1.0
|
|
N
|
G:GLY196
|
4.7
|
44.0
|
1.0
|
|
CA
|
G:ILE145
|
4.8
|
48.6
|
1.0
|
|
O
|
G:HIS39
|
4.9
|
48.5
|
1.0
|
|
CA
|
G:ARG152
|
4.9
|
38.0
|
1.0
|
|
C
|
G:GLY196
|
5.0
|
48.5
|
1.0
|
|
O
|
G:GLY144
|
5.0
|
55.7
|
1.0
|
|
Reference:
C.Y.Yang,
J.G.Phillips,
J.A.Stuckey,
L.Bai,
H.Sun,
J.Delproposto,
W.C.Brown,
K.Chinnaswamy.
Buried Hydrogen Bond Interactions Contribute to the High Potency of Complement Factor D Inhibitors. Acs Med Chem Lett V. 7 1092 2016.
ISSN: ISSN 1948-5875
PubMed: 27994744
DOI: 10.1021/ACSMEDCHEMLETT.6B00299
Page generated: Sat Dec 12 02:30:41 2020
|
