Chlorine in PDB 4grq: Characterization of N- and C- Terminus Mutants of Human Mif
Enzymatic activity of Characterization of N- and C- Terminus Mutants of Human Mif
All present enzymatic activity of Characterization of N- and C- Terminus Mutants of Human Mif:
5.3.2.1;
5.3.3.12;
Protein crystallography data
The structure of Characterization of N- and C- Terminus Mutants of Human Mif, PDB code: 4grq
was solved by
C.Fan,
E.Lolis,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
47.68 /
1.65
|
Space group
|
P 31 2 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
95.369,
95.369,
103.830,
90.00,
90.00,
120.00
|
R / Rfree (%)
|
13.7 /
16.1
|
Chlorine Binding Sites:
The binding sites of Chlorine atom in the Characterization of N- and C- Terminus Mutants of Human Mif
(pdb code 4grq). This binding sites where shown within
5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the
Characterization of N- and C- Terminus Mutants of Human Mif, PDB code: 4grq:
Jump to Chlorine binding site number:
1;
2;
3;
4;
5;
6;
Chlorine binding site 1 out
of 6 in 4grq
Go back to
Chlorine Binding Sites List in 4grq
Chlorine binding site 1 out
of 6 in the Characterization of N- and C- Terminus Mutants of Human Mif
 Mono view
 Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 1 of Characterization of N- and C- Terminus Mutants of Human Mif within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl201
b:14.7
occ:1.00
|
HD21
|
A:ASN107
|
2.3
|
20.7
|
1.0
|
H
|
A:ASN104
|
2.3
|
13.6
|
1.0
|
HA
|
A:MET103
|
3.0
|
13.5
|
1.0
|
O
|
B:HOH316
|
3.1
|
15.4
|
1.0
|
ND2
|
A:ASN107
|
3.1
|
17.2
|
1.0
|
N
|
A:ASN104
|
3.2
|
11.3
|
1.0
|
O
|
B:HOH425
|
3.2
|
37.6
|
1.0
|
HB2
|
A:ASN104
|
3.3
|
14.1
|
1.0
|
HB2
|
A:ASN107
|
3.3
|
11.6
|
1.0
|
HE3
|
A:MET103
|
3.3
|
19.5
|
1.0
|
HD22
|
A:ASN107
|
3.6
|
20.7
|
1.0
|
CA
|
A:MET103
|
3.8
|
11.2
|
1.0
|
CG
|
A:ASN104
|
3.8
|
21.3
|
1.0
|
CB
|
A:ASN104
|
3.8
|
11.7
|
1.0
|
HE1
|
A:MET103
|
3.9
|
19.5
|
1.0
|
CB
|
A:ASN107
|
3.9
|
9.7
|
1.0
|
CE
|
A:MET103
|
3.9
|
16.3
|
1.0
|
O
|
A:HOH407
|
3.9
|
23.4
|
1.0
|
ND2
|
A:ASN104
|
4.0
|
30.7
|
1.0
|
C
|
A:MET103
|
4.0
|
12.9
|
1.0
|
HB3
|
A:ASN107
|
4.0
|
11.6
|
1.0
|
CG
|
A:ASN107
|
4.0
|
12.8
|
1.0
|
HD21
|
A:ASN104
|
4.0
|
36.8
|
1.0
|
O
|
A:ASP102
|
4.1
|
12.9
|
1.0
|
CA
|
A:ASN104
|
4.1
|
10.5
|
1.0
|
O
|
A:HOH367
|
4.2
|
29.3
|
1.0
|
HB3
|
A:MET103
|
4.2
|
12.5
|
1.0
|
OD1
|
A:ASN104
|
4.3
|
25.6
|
1.0
|
SD
|
A:MET103
|
4.3
|
16.1
|
1.0
|
HD22
|
A:ASN104
|
4.3
|
36.8
|
1.0
|
O
|
A:HOH408
|
4.5
|
30.1
|
1.0
|
CB
|
A:MET103
|
4.6
|
10.4
|
1.0
|
O
|
A:ASN104
|
4.7
|
11.0
|
1.0
|
HB3
|
A:ASN104
|
4.7
|
14.1
|
1.0
|
HE2
|
A:MET103
|
4.8
|
19.5
|
1.0
|
HA
|
A:ASN104
|
4.8
|
12.6
|
1.0
|
O
|
B:HOH308
|
4.8
|
17.1
|
1.0
|
O
|
A:HOH368
|
4.9
|
45.1
|
1.0
|
N
|
A:MET103
|
4.9
|
10.3
|
1.0
|
C
|
A:ASP102
|
4.9
|
10.4
|
1.0
|
C
|
A:ASN104
|
4.9
|
10.7
|
1.0
|
O
|
B:HOH436
|
5.0
|
44.0
|
1.0
|
O
|
B:TYR100
|
5.0
|
9.9
|
1.0
|
|
Chlorine binding site 2 out
of 6 in 4grq
Go back to
Chlorine Binding Sites List in 4grq
Chlorine binding site 2 out
of 6 in the Characterization of N- and C- Terminus Mutants of Human Mif
 Mono view
 Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 2 of Characterization of N- and C- Terminus Mutants of Human Mif within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl202
b:26.2
occ:1.00
|
HE21
|
A:GLN73
|
2.5
|
22.2
|
1.0
|
H
|
A:GLN73
|
2.5
|
16.0
|
1.0
|
HA3
|
A:GLY70
|
2.8
|
16.7
|
1.0
|
O
|
A:HOH423
|
2.8
|
48.7
|
1.0
|
HG3
|
A:GLN73
|
2.8
|
19.1
|
1.0
|
H
|
A:ALA72
|
2.9
|
18.3
|
1.0
|
HB3
|
A:ALA72
|
3.1
|
22.4
|
1.0
|
NE2
|
A:GLN73
|
3.3
|
18.5
|
1.0
|
N
|
A:GLN73
|
3.3
|
13.4
|
1.0
|
N
|
A:ALA72
|
3.4
|
15.3
|
1.0
|
HB2
|
A:GLN73
|
3.5
|
18.4
|
1.0
|
C
|
A:GLY70
|
3.5
|
13.9
|
1.0
|
CA
|
A:GLY70
|
3.5
|
13.9
|
1.0
|
CG
|
A:GLN73
|
3.6
|
15.9
|
1.0
|
N
|
A:GLY71
|
3.7
|
17.3
|
1.0
|
H
|
A:GLY71
|
3.7
|
20.8
|
1.0
|
HE22
|
A:GLN73
|
3.9
|
22.2
|
1.0
|
CB
|
A:ALA72
|
3.9
|
18.6
|
1.0
|
CB
|
A:GLN73
|
3.9
|
15.3
|
1.0
|
CD
|
A:GLN73
|
3.9
|
20.1
|
1.0
|
O
|
A:GLY70
|
4.0
|
14.3
|
1.0
|
CA
|
A:ALA72
|
4.0
|
15.2
|
1.0
|
C
|
A:ALA72
|
4.2
|
13.7
|
1.0
|
N
|
A:GLY70
|
4.2
|
13.3
|
1.0
|
O
|
A:HOH441
|
4.2
|
38.7
|
1.0
|
CA
|
A:GLN73
|
4.2
|
14.8
|
1.0
|
C
|
A:GLY71
|
4.3
|
14.4
|
1.0
|
HB2
|
A:ALA72
|
4.3
|
22.4
|
1.0
|
HA2
|
A:GLY70
|
4.3
|
16.7
|
1.0
|
HG2
|
A:GLN73
|
4.4
|
19.1
|
1.0
|
H
|
A:GLY70
|
4.4
|
16.0
|
1.0
|
CA
|
A:GLY71
|
4.5
|
17.2
|
1.0
|
HB1
|
A:ALA72
|
4.6
|
22.4
|
1.0
|
H
|
A:ASN74
|
4.8
|
14.1
|
1.0
|
HA
|
A:GLN73
|
4.8
|
17.7
|
1.0
|
HA3
|
A:GLY71
|
4.8
|
20.6
|
1.0
|
C
|
A:ILE69
|
4.8
|
15.3
|
1.0
|
HB3
|
A:GLN73
|
4.8
|
18.4
|
1.0
|
O
|
A:ILE69
|
4.9
|
18.5
|
1.0
|
HA
|
A:ALA72
|
5.0
|
18.3
|
1.0
|
|
Chlorine binding site 3 out
of 6 in 4grq
Go back to
Chlorine Binding Sites List in 4grq
Chlorine binding site 3 out
of 6 in the Characterization of N- and C- Terminus Mutants of Human Mif
 Mono view
 Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 3 of Characterization of N- and C- Terminus Mutants of Human Mif within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl201
b:27.4
occ:1.00
|
HE21
|
B:GLN73
|
2.4
|
23.0
|
1.0
|
H
|
B:GLN73
|
2.5
|
17.6
|
1.0
|
HG3
|
B:GLN73
|
2.8
|
19.1
|
1.0
|
HA3
|
B:GLY70
|
2.8
|
19.5
|
1.0
|
H
|
B:ALA72
|
2.9
|
20.7
|
1.0
|
O
|
B:HOH428
|
2.9
|
44.4
|
1.0
|
HB3
|
B:ALA72
|
3.2
|
25.6
|
1.0
|
NE2
|
B:GLN73
|
3.2
|
19.2
|
1.0
|
N
|
B:GLN73
|
3.3
|
14.7
|
1.0
|
HB2
|
B:GLN73
|
3.4
|
17.1
|
1.0
|
C
|
B:GLY70
|
3.5
|
15.6
|
1.0
|
N
|
B:ALA72
|
3.5
|
17.2
|
1.0
|
CA
|
B:GLY70
|
3.5
|
16.2
|
1.0
|
CG
|
B:GLN73
|
3.6
|
16.0
|
1.0
|
N
|
B:GLY71
|
3.6
|
18.8
|
1.0
|
H
|
B:GLY71
|
3.6
|
22.6
|
1.0
|
O
|
B:HOH451
|
3.7
|
39.2
|
1.0
|
HE22
|
B:GLN73
|
3.8
|
23.0
|
1.0
|
CB
|
B:GLN73
|
3.9
|
14.2
|
1.0
|
CD
|
B:GLN73
|
3.9
|
20.5
|
1.0
|
O
|
B:GLY70
|
4.0
|
15.4
|
1.0
|
CB
|
B:ALA72
|
4.0
|
21.4
|
1.0
|
CA
|
B:ALA72
|
4.1
|
16.4
|
1.0
|
C
|
B:ALA72
|
4.2
|
15.3
|
1.0
|
CA
|
B:GLN73
|
4.2
|
14.1
|
1.0
|
O
|
B:HOH419
|
4.2
|
40.8
|
1.0
|
N
|
B:GLY70
|
4.2
|
12.5
|
1.0
|
C
|
B:GLY71
|
4.3
|
14.8
|
1.0
|
HA2
|
B:GLY70
|
4.3
|
19.5
|
1.0
|
HB2
|
B:ALA72
|
4.4
|
25.6
|
1.0
|
HG2
|
B:GLN73
|
4.4
|
19.1
|
1.0
|
CA
|
B:GLY71
|
4.4
|
18.8
|
1.0
|
H
|
B:GLY70
|
4.5
|
15.0
|
1.0
|
HB1
|
B:ALA72
|
4.7
|
25.6
|
1.0
|
HA
|
B:GLN73
|
4.7
|
17.0
|
1.0
|
HA3
|
B:GLY71
|
4.7
|
22.6
|
1.0
|
H
|
B:ASN74
|
4.7
|
14.9
|
1.0
|
HB3
|
B:GLN73
|
4.8
|
17.1
|
1.0
|
C
|
B:ILE69
|
4.9
|
12.4
|
1.0
|
O
|
B:ILE69
|
4.9
|
17.2
|
1.0
|
|
Chlorine binding site 4 out
of 6 in 4grq
Go back to
Chlorine Binding Sites List in 4grq
Chlorine binding site 4 out
of 6 in the Characterization of N- and C- Terminus Mutants of Human Mif
 Mono view
 Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 4 of Characterization of N- and C- Terminus Mutants of Human Mif within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl202
b:15.9
occ:1.00
|
H
|
B:ASN104
|
2.3
|
14.5
|
1.0
|
HD21
|
B:ASN107
|
2.3
|
21.4
|
1.0
|
HA
|
B:MET103
|
2.9
|
12.9
|
1.0
|
O
|
C:HOH306
|
3.0
|
15.8
|
1.0
|
N
|
B:ASN104
|
3.2
|
12.1
|
1.0
|
HB2
|
B:ASN104
|
3.2
|
15.6
|
1.0
|
ND2
|
B:ASN107
|
3.2
|
17.9
|
1.0
|
HB2
|
B:ASN107
|
3.3
|
14.0
|
1.0
|
HE3
|
B:MET103
|
3.5
|
21.8
|
1.0
|
HD22
|
B:ASN107
|
3.7
|
21.4
|
1.0
|
CG
|
B:ASN104
|
3.8
|
22.0
|
1.0
|
CB
|
B:ASN104
|
3.8
|
13.0
|
1.0
|
CA
|
B:MET103
|
3.8
|
10.8
|
1.0
|
ND2
|
B:ASN104
|
3.9
|
32.0
|
1.0
|
CB
|
B:ASN107
|
3.9
|
11.6
|
1.0
|
HD21
|
B:ASN104
|
4.0
|
38.4
|
1.0
|
HE1
|
B:MET103
|
4.0
|
21.8
|
1.0
|
C
|
B:MET103
|
4.0
|
11.2
|
1.0
|
HB3
|
B:ASN107
|
4.0
|
14.0
|
1.0
|
CE
|
B:MET103
|
4.0
|
18.1
|
1.0
|
O
|
C:HOH323
|
4.0
|
23.5
|
1.0
|
CG
|
B:ASN107
|
4.0
|
19.1
|
1.0
|
CA
|
B:ASN104
|
4.1
|
11.3
|
1.0
|
O
|
B:HOH349
|
4.1
|
31.8
|
1.0
|
O
|
B:ASP102
|
4.1
|
12.3
|
1.0
|
OD1
|
B:ASN104
|
4.2
|
25.6
|
1.0
|
HB3
|
B:MET103
|
4.2
|
12.7
|
1.0
|
HD22
|
B:ASN104
|
4.3
|
38.4
|
1.0
|
SD
|
B:MET103
|
4.3
|
16.3
|
1.0
|
CB
|
B:MET103
|
4.6
|
10.6
|
1.0
|
O
|
B:ASN104
|
4.6
|
12.9
|
1.0
|
O
|
B:HOH411
|
4.7
|
30.8
|
1.0
|
HB3
|
B:ASN104
|
4.7
|
15.6
|
1.0
|
O
|
C:HOH310
|
4.7
|
20.3
|
1.0
|
O
|
C:HOH361
|
4.8
|
40.4
|
1.0
|
HA
|
B:ASN104
|
4.8
|
13.5
|
1.0
|
N
|
B:MET103
|
4.9
|
11.6
|
1.0
|
C
|
B:ASN104
|
4.9
|
10.9
|
1.0
|
HE2
|
B:MET103
|
4.9
|
21.8
|
1.0
|
C
|
B:ASP102
|
4.9
|
11.1
|
1.0
|
O
|
C:TYR100
|
5.0
|
12.2
|
1.0
|
|
Chlorine binding site 5 out
of 6 in 4grq
Go back to
Chlorine Binding Sites List in 4grq
Chlorine binding site 5 out
of 6 in the Characterization of N- and C- Terminus Mutants of Human Mif
 Mono view
 Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 5 of Characterization of N- and C- Terminus Mutants of Human Mif within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Cl201
b:33.0
occ:1.00
|
HE21
|
C:GLN73
|
2.5
|
30.6
|
1.0
|
H
|
C:GLN73
|
2.6
|
23.9
|
1.0
|
HG3
|
C:GLN73
|
2.8
|
26.2
|
1.0
|
H
|
C:ALA72
|
2.8
|
25.2
|
1.0
|
HA3
|
C:GLY70
|
2.9
|
22.7
|
1.0
|
O
|
C:HOH447
|
3.2
|
46.9
|
1.0
|
HB3
|
C:ALA72
|
3.2
|
31.6
|
1.0
|
NE2
|
C:GLN73
|
3.3
|
25.5
|
1.0
|
HB2
|
C:GLN73
|
3.4
|
24.6
|
1.0
|
N
|
C:GLN73
|
3.4
|
19.9
|
1.0
|
N
|
C:ALA72
|
3.5
|
21.0
|
1.0
|
CG
|
C:GLN73
|
3.6
|
21.8
|
1.0
|
C
|
C:GLY70
|
3.6
|
18.3
|
1.0
|
CA
|
C:GLY70
|
3.6
|
18.9
|
1.0
|
H
|
C:GLY71
|
3.6
|
26.1
|
1.0
|
N
|
C:GLY71
|
3.7
|
21.7
|
1.0
|
O
|
C:HOH465
|
3.8
|
43.1
|
1.0
|
CB
|
C:GLN73
|
3.9
|
20.5
|
1.0
|
HE22
|
C:GLN73
|
3.9
|
30.6
|
1.0
|
CD
|
C:GLN73
|
3.9
|
23.1
|
1.0
|
CB
|
C:ALA72
|
4.0
|
26.4
|
1.0
|
O
|
C:GLY70
|
4.1
|
19.5
|
1.0
|
CA
|
C:ALA72
|
4.1
|
23.5
|
1.0
|
CA
|
C:GLN73
|
4.2
|
19.1
|
1.0
|
C
|
C:ALA72
|
4.3
|
20.6
|
1.0
|
N
|
C:GLY70
|
4.3
|
18.9
|
1.0
|
C
|
C:GLY71
|
4.3
|
22.4
|
1.0
|
HB2
|
C:ALA72
|
4.4
|
31.6
|
1.0
|
HA2
|
C:GLY70
|
4.4
|
22.7
|
1.0
|
HG2
|
C:GLN73
|
4.4
|
26.2
|
1.0
|
CA
|
C:GLY71
|
4.5
|
23.3
|
1.0
|
O
|
C:HOH377
|
4.5
|
41.6
|
1.0
|
H
|
C:GLY70
|
4.6
|
22.6
|
1.0
|
HB1
|
C:ALA72
|
4.8
|
31.6
|
1.0
|
HA3
|
C:GLY71
|
4.8
|
27.9
|
1.0
|
HA
|
C:GLN73
|
4.8
|
23.0
|
1.0
|
HB3
|
C:GLN73
|
4.8
|
24.6
|
1.0
|
H
|
C:ASN74
|
4.8
|
20.8
|
1.0
|
C
|
C:ILE69
|
4.9
|
25.3
|
1.0
|
O
|
C:ILE69
|
5.0
|
23.5
|
1.0
|
|
Chlorine binding site 6 out
of 6 in 4grq
Go back to
Chlorine Binding Sites List in 4grq
Chlorine binding site 6 out
of 6 in the Characterization of N- and C- Terminus Mutants of Human Mif
 Mono view
 Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 6 of Characterization of N- and C- Terminus Mutants of Human Mif within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Cl202
b:15.5
occ:1.00
|
H
|
C:ASN104
|
2.3
|
16.8
|
1.0
|
HD21
|
C:ASN107
|
2.4
|
18.6
|
1.0
|
HA
|
C:MET103
|
3.0
|
16.1
|
1.0
|
O
|
C:HOH425
|
3.1
|
42.2
|
1.0
|
O
|
A:HOH324
|
3.1
|
16.3
|
1.0
|
N
|
C:ASN104
|
3.1
|
14.0
|
1.0
|
HB2
|
C:ASN104
|
3.2
|
17.7
|
1.0
|
ND2
|
C:ASN107
|
3.2
|
15.5
|
1.0
|
HB2
|
C:ASN107
|
3.3
|
13.5
|
1.0
|
O
|
C:HOH435
|
3.4
|
31.2
|
1.0
|
HE3
|
C:MET103
|
3.4
|
23.3
|
1.0
|
CG
|
C:ASN104
|
3.7
|
22.2
|
1.0
|
HD22
|
C:ASN107
|
3.7
|
18.6
|
1.0
|
CB
|
C:ASN104
|
3.7
|
14.8
|
1.0
|
CA
|
C:MET103
|
3.8
|
13.4
|
1.0
|
ND2
|
C:ASN104
|
3.9
|
27.8
|
1.0
|
HE1
|
C:MET103
|
3.9
|
23.3
|
1.0
|
CB
|
C:ASN107
|
3.9
|
11.2
|
1.0
|
HD21
|
C:ASN104
|
3.9
|
33.3
|
1.0
|
HB3
|
C:ASN107
|
4.0
|
13.5
|
1.0
|
CE
|
C:MET103
|
4.0
|
19.4
|
1.0
|
O
|
C:HOH327
|
4.0
|
26.1
|
1.0
|
C
|
C:MET103
|
4.0
|
14.5
|
1.0
|
CA
|
C:ASN104
|
4.0
|
13.0
|
1.0
|
CG
|
C:ASN107
|
4.1
|
14.1
|
1.0
|
O
|
C:HOH336
|
4.1
|
25.1
|
1.0
|
HB3
|
C:MET103
|
4.1
|
18.8
|
1.0
|
OD1
|
C:ASN104
|
4.2
|
28.5
|
1.0
|
HD22
|
C:ASN104
|
4.2
|
33.3
|
1.0
|
O
|
C:ASP102
|
4.3
|
15.8
|
1.0
|
SD
|
C:MET103
|
4.3
|
17.7
|
1.0
|
CB
|
C:MET103
|
4.5
|
15.7
|
1.0
|
HB3
|
C:ASN104
|
4.6
|
17.7
|
1.0
|
O
|
C:ASN104
|
4.6
|
13.7
|
1.0
|
O
|
C:HOH324
|
4.7
|
25.0
|
1.0
|
HA
|
C:ASN104
|
4.8
|
15.6
|
1.0
|
O
|
C:HOH395
|
4.8
|
43.0
|
1.0
|
O
|
A:HOH325
|
4.9
|
19.2
|
1.0
|
HE2
|
C:MET103
|
4.9
|
23.3
|
1.0
|
C
|
C:ASN104
|
4.9
|
15.1
|
1.0
|
O
|
C:HOH433
|
4.9
|
48.7
|
1.0
|
N
|
C:MET103
|
5.0
|
12.6
|
1.0
|
|
Reference:
C.Fan,
E.Lolis.
Characterization of N- and C- Terminus Mutants of Human Mif To Be Published.
Page generated: Sun Jul 21 14:59:50 2024
|