Iodine in PDB 3jtn: Crystal Structure of the C-Terminal Domain of Ypbh
Protein crystallography data
The structure of Crystal Structure of the C-Terminal Domain of Ypbh, PDB code: 3jtn
was solved by
F.Wang,
Z.Mei,
Y.Qi,
C.Yan,
J.Wang,
Y.Shi,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
34.36 /
2.09
|
Space group
|
P 1 21 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
28.930,
71.660,
39.330,
90.00,
95.35,
90.00
|
R / Rfree (%)
|
21.7 /
30.3
|
Iodine Binding Sites:
Pages:
>>> Page 1 <<<
Page 2, Binding sites: 11 -
14;
Binding sites:
The binding sites of Iodine atom in the Crystal Structure of the C-Terminal Domain of Ypbh
(pdb code 3jtn). This binding sites where shown within
5.0 Angstroms radius around Iodine atom.
In total 14 binding sites of Iodine where determined in the
Crystal Structure of the C-Terminal Domain of Ypbh, PDB code: 3jtn:
Jump to Iodine binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Iodine binding site 1 out
of 14 in 3jtn
Go back to
Iodine Binding Sites List in 3jtn
Iodine binding site 1 out
of 14 in the Crystal Structure of the C-Terminal Domain of Ypbh
Mono view
Stereo pair view
|
A full contact list of Iodine with other atoms in the I binding
site number 1 of Crystal Structure of the C-Terminal Domain of Ypbh within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:I92
b:77.6
occ:0.49
|
O
|
A:HOH122
|
2.9
|
50.1
|
1.0
|
O
|
A:HOH118
|
3.0
|
39.9
|
1.0
|
CE2
|
A:TYR5
|
3.5
|
43.8
|
1.0
|
OH
|
A:TYR5
|
4.0
|
53.7
|
1.0
|
CB
|
A:PRO62
|
4.0
|
38.8
|
1.0
|
CZ
|
A:TYR5
|
4.1
|
46.4
|
1.0
|
CD2
|
A:TYR5
|
4.4
|
42.2
|
1.0
|
CG2
|
A:VAL53
|
4.6
|
44.8
|
1.0
|
CA
|
A:PRO62
|
4.6
|
35.1
|
1.0
|
CG
|
A:PRO62
|
4.7
|
39.3
|
1.0
|
O
|
A:ILE4
|
4.9
|
37.6
|
1.0
|
CG1
|
A:VAL53
|
4.9
|
39.2
|
1.0
|
|
Iodine binding site 2 out
of 14 in 3jtn
Go back to
Iodine Binding Sites List in 3jtn
Iodine binding site 2 out
of 14 in the Crystal Structure of the C-Terminal Domain of Ypbh
Mono view
Stereo pair view
|
A full contact list of Iodine with other atoms in the I binding
site number 2 of Crystal Structure of the C-Terminal Domain of Ypbh within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:I93
b:54.4
occ:0.37
|
N
|
A:ILE67
|
3.6
|
42.3
|
1.0
|
CA
|
A:THR66
|
3.9
|
46.0
|
1.0
|
CB
|
A:THR66
|
4.1
|
51.4
|
1.0
|
CG2
|
A:ILE67
|
4.2
|
47.0
|
1.0
|
C
|
A:THR66
|
4.3
|
40.5
|
1.0
|
CB
|
A:ILE67
|
4.5
|
45.8
|
1.0
|
CG2
|
A:THR66
|
4.6
|
54.6
|
1.0
|
CA
|
A:ILE67
|
4.7
|
42.0
|
1.0
|
CD1
|
A:ILE4
|
4.8
|
43.4
|
1.0
|
O
|
A:LEU65
|
4.9
|
48.7
|
1.0
|
|
Iodine binding site 3 out
of 14 in 3jtn
Go back to
Iodine Binding Sites List in 3jtn
Iodine binding site 3 out
of 14 in the Crystal Structure of the C-Terminal Domain of Ypbh
Mono view
Stereo pair view
|
A full contact list of Iodine with other atoms in the I binding
site number 3 of Crystal Structure of the C-Terminal Domain of Ypbh within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:I94
b:56.4
occ:0.37
|
OE1
|
A:GLN21
|
3.3
|
60.8
|
1.0
|
CG2
|
A:THR26
|
3.3
|
62.2
|
1.0
|
CB
|
A:GLU84
|
3.4
|
43.5
|
1.0
|
CA
|
A:GLU84
|
3.4
|
36.5
|
1.0
|
OG1
|
A:THR26
|
3.8
|
62.2
|
1.0
|
CB
|
A:THR26
|
4.1
|
61.3
|
1.0
|
CD
|
A:GLN21
|
4.1
|
56.9
|
1.0
|
CG
|
A:GLN21
|
4.2
|
47.3
|
1.0
|
N
|
A:GLU84
|
4.3
|
31.5
|
1.0
|
CB
|
A:GLN87
|
4.3
|
35.0
|
1.0
|
C
|
A:GLU84
|
4.5
|
36.4
|
1.0
|
O
|
A:VAL83
|
4.5
|
34.2
|
1.0
|
O
|
A:GLU84
|
4.5
|
35.5
|
1.0
|
C
|
A:VAL83
|
4.7
|
32.3
|
1.0
|
CG
|
A:GLN87
|
4.7
|
37.0
|
1.0
|
CG
|
A:GLU84
|
4.8
|
52.6
|
1.0
|
CB
|
A:GLN21
|
4.8
|
36.4
|
1.0
|
O
|
A:HOH101
|
4.8
|
60.2
|
1.0
|
CG1
|
A:VAL83
|
4.8
|
30.3
|
1.0
|
CA
|
A:THR26
|
4.8
|
36.6
|
1.0
|
|
Iodine binding site 4 out
of 14 in 3jtn
Go back to
Iodine Binding Sites List in 3jtn
Iodine binding site 4 out
of 14 in the Crystal Structure of the C-Terminal Domain of Ypbh
Mono view
Stereo pair view
|
A full contact list of Iodine with other atoms in the I binding
site number 4 of Crystal Structure of the C-Terminal Domain of Ypbh within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:I95
b:45.6
occ:0.30
|
O
|
A:HOH125
|
2.6
|
30.9
|
1.0
|
N
|
A:GLU42
|
3.0
|
45.9
|
1.0
|
N
|
A:GLY28
|
3.1
|
34.9
|
1.0
|
CG
|
A:GLU42
|
3.2
|
62.9
|
1.0
|
O
|
A:HOH104
|
3.5
|
44.9
|
1.0
|
CA
|
A:GLY28
|
3.7
|
33.0
|
1.0
|
CA
|
A:LEU41
|
3.7
|
36.6
|
1.0
|
N
|
A:ASP43
|
3.8
|
53.4
|
1.0
|
CB
|
A:GLU42
|
3.8
|
57.1
|
1.0
|
C
|
A:LEU41
|
3.8
|
39.4
|
1.0
|
CA
|
A:GLU42
|
3.9
|
52.2
|
1.0
|
C
|
A:GLY27
|
4.2
|
35.9
|
1.0
|
O
|
A:SER40
|
4.2
|
31.4
|
1.0
|
CD2
|
A:LEU41
|
4.3
|
31.8
|
1.0
|
C
|
A:GLU42
|
4.4
|
54.2
|
1.0
|
C
|
A:GLY28
|
4.4
|
32.5
|
1.0
|
CA
|
A:GLY27
|
4.4
|
33.8
|
1.0
|
CD
|
A:GLU42
|
4.4
|
69.3
|
1.0
|
CB
|
A:LEU41
|
4.5
|
34.6
|
1.0
|
OE1
|
A:GLU42
|
4.6
|
71.4
|
1.0
|
O
|
A:ASP43
|
4.7
|
53.8
|
1.0
|
O
|
A:HOH121
|
4.7
|
41.0
|
1.0
|
N
|
A:LEU41
|
4.8
|
34.5
|
1.0
|
N
|
A:THR29
|
4.8
|
32.9
|
1.0
|
CA
|
A:ASP43
|
4.8
|
56.6
|
1.0
|
C
|
A:SER40
|
4.9
|
31.4
|
1.0
|
CB
|
A:ASP43
|
4.9
|
61.0
|
1.0
|
|
Iodine binding site 5 out
of 14 in 3jtn
Go back to
Iodine Binding Sites List in 3jtn
Iodine binding site 5 out
of 14 in the Crystal Structure of the C-Terminal Domain of Ypbh
Mono view
Stereo pair view
|
A full contact list of Iodine with other atoms in the I binding
site number 5 of Crystal Structure of the C-Terminal Domain of Ypbh within 5.0Å range:
|
Iodine binding site 6 out
of 14 in 3jtn
Go back to
Iodine Binding Sites List in 3jtn
Iodine binding site 6 out
of 14 in the Crystal Structure of the C-Terminal Domain of Ypbh
Mono view
Stereo pair view
|
A full contact list of Iodine with other atoms in the I binding
site number 6 of Crystal Structure of the C-Terminal Domain of Ypbh within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:I97
b:29.1
occ:0.25
|
ND2
|
A:ASN61
|
3.4
|
49.5
|
1.0
|
N
|
A:HIS8
|
3.7
|
51.9
|
1.0
|
CG
|
A:GLN6
|
3.8
|
41.9
|
1.0
|
C
|
A:PHE7
|
3.8
|
50.0
|
1.0
|
NE2
|
A:GLN36
|
4.0
|
63.7
|
1.0
|
CB
|
A:ASN61
|
4.0
|
43.6
|
1.0
|
CA
|
A:HIS8
|
4.1
|
54.4
|
1.0
|
O
|
A:GLN6
|
4.1
|
44.1
|
1.0
|
CG
|
A:ASN61
|
4.1
|
49.4
|
1.0
|
CA
|
A:PHE7
|
4.2
|
44.8
|
1.0
|
C
|
A:GLN6
|
4.2
|
41.3
|
1.0
|
N
|
A:PHE7
|
4.3
|
44.3
|
1.0
|
O
|
A:PHE7
|
4.3
|
52.9
|
1.0
|
CD
|
A:GLN6
|
4.3
|
47.7
|
1.0
|
OE1
|
A:GLN36
|
4.4
|
59.6
|
1.0
|
N
|
A:ASN61
|
4.5
|
31.7
|
1.0
|
CB
|
A:HIS8
|
4.5
|
59.4
|
1.0
|
CD
|
A:GLN36
|
4.5
|
60.0
|
1.0
|
CB
|
A:GLN6
|
4.7
|
36.7
|
1.0
|
NE2
|
A:GLN6
|
4.8
|
47.8
|
1.0
|
OE1
|
A:GLN6
|
4.8
|
51.4
|
1.0
|
CA
|
A:ASN61
|
4.9
|
36.4
|
1.0
|
|
Iodine binding site 7 out
of 14 in 3jtn
Go back to
Iodine Binding Sites List in 3jtn
Iodine binding site 7 out
of 14 in the Crystal Structure of the C-Terminal Domain of Ypbh
Mono view
Stereo pair view
|
A full contact list of Iodine with other atoms in the I binding
site number 7 of Crystal Structure of the C-Terminal Domain of Ypbh within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:I98
b:0.2
occ:1.00
|
O
|
A:HOH129
|
2.9
|
44.3
|
1.0
|
NE2
|
B:GLN15
|
3.0
|
41.7
|
1.0
|
OH
|
A:TYR37
|
3.3
|
31.3
|
1.0
|
CE2
|
A:TYR37
|
3.5
|
28.6
|
1.0
|
OE2
|
B:GLU11
|
3.7
|
49.6
|
1.0
|
CD
|
B:GLU11
|
3.7
|
49.8
|
1.0
|
CZ
|
A:TYR37
|
3.8
|
31.5
|
1.0
|
CG
|
B:GLU11
|
3.8
|
46.0
|
1.0
|
CG
|
B:GLN15
|
3.8
|
37.4
|
1.0
|
CD
|
B:GLN15
|
3.9
|
39.8
|
1.0
|
CB
|
B:GLU11
|
4.0
|
40.4
|
1.0
|
OE1
|
B:GLU11
|
4.3
|
50.5
|
1.0
|
CE1
|
A:HIS32
|
4.4
|
49.0
|
1.0
|
CA
|
B:GLU11
|
4.6
|
37.0
|
1.0
|
O
|
B:GLU11
|
4.6
|
38.9
|
1.0
|
CD2
|
A:TYR37
|
4.7
|
31.6
|
1.0
|
O
|
B:HOH99
|
4.8
|
51.3
|
1.0
|
ND1
|
A:HIS32
|
4.9
|
46.8
|
1.0
|
CG2
|
B:ILE14
|
4.9
|
36.5
|
1.0
|
C
|
B:GLU11
|
4.9
|
36.6
|
1.0
|
|
Iodine binding site 8 out
of 14 in 3jtn
Go back to
Iodine Binding Sites List in 3jtn
Iodine binding site 8 out
of 14 in the Crystal Structure of the C-Terminal Domain of Ypbh
Mono view
Stereo pair view
|
A full contact list of Iodine with other atoms in the I binding
site number 8 of Crystal Structure of the C-Terminal Domain of Ypbh within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:I92
b:43.5
occ:0.54
|
OG1
|
B:THR66
|
3.3
|
37.1
|
1.0
|
CG2
|
B:THR66
|
4.1
|
33.1
|
1.0
|
CD2
|
B:TYR68
|
4.1
|
46.4
|
1.0
|
CB
|
B:ARG69
|
4.2
|
39.3
|
1.0
|
CD
|
B:ARG69
|
4.3
|
51.1
|
1.0
|
CB
|
B:THR66
|
4.3
|
33.9
|
1.0
|
CE2
|
B:TYR68
|
4.4
|
47.7
|
1.0
|
N
|
B:ARG69
|
4.7
|
32.9
|
1.0
|
CG
|
B:ARG69
|
4.8
|
43.7
|
1.0
|
CA
|
B:ARG69
|
4.8
|
34.5
|
1.0
|
|
Iodine binding site 9 out
of 14 in 3jtn
Go back to
Iodine Binding Sites List in 3jtn
Iodine binding site 9 out
of 14 in the Crystal Structure of the C-Terminal Domain of Ypbh
Mono view
Stereo pair view
|
A full contact list of Iodine with other atoms in the I binding
site number 9 of Crystal Structure of the C-Terminal Domain of Ypbh within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:I93
b:78.5
occ:0.57
|
OH
|
B:TYR37
|
3.1
|
38.0
|
1.0
|
CG
|
A:GLU11
|
3.6
|
52.4
|
1.0
|
CE2
|
B:TYR37
|
3.8
|
38.2
|
1.0
|
CB
|
A:GLU11
|
3.8
|
45.2
|
1.0
|
CD
|
A:GLU11
|
3.8
|
59.1
|
1.0
|
CZ
|
B:TYR37
|
3.9
|
36.4
|
1.0
|
OE2
|
A:GLU11
|
3.9
|
63.1
|
1.0
|
CG
|
A:GLN15
|
4.1
|
39.5
|
1.0
|
O
|
A:GLU11
|
4.2
|
37.2
|
1.0
|
CG2
|
A:ILE14
|
4.2
|
30.3
|
1.0
|
NE2
|
A:GLN15
|
4.3
|
52.8
|
1.0
|
CA
|
A:GLU11
|
4.3
|
41.6
|
1.0
|
CD
|
A:GLN15
|
4.4
|
46.1
|
1.0
|
CB
|
A:ILE14
|
4.5
|
32.4
|
1.0
|
OE1
|
A:GLU11
|
4.5
|
62.8
|
1.0
|
CE1
|
B:HIS32
|
4.6
|
44.1
|
1.0
|
C
|
A:GLU11
|
4.7
|
37.7
|
1.0
|
NE2
|
B:HIS32
|
4.8
|
49.1
|
1.0
|
CD1
|
A:ILE14
|
4.9
|
38.9
|
1.0
|
|
Iodine binding site 10 out
of 14 in 3jtn
Go back to
Iodine Binding Sites List in 3jtn
Iodine binding site 10 out
of 14 in the Crystal Structure of the C-Terminal Domain of Ypbh
Mono view
Stereo pair view
|
A full contact list of Iodine with other atoms in the I binding
site number 10 of Crystal Structure of the C-Terminal Domain of Ypbh within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:I94
b:48.4
occ:0.57
|
N
|
B:ILE67
|
3.4
|
29.6
|
1.0
|
CG2
|
B:ILE67
|
3.7
|
42.4
|
1.0
|
CB
|
B:ILE67
|
3.9
|
36.5
|
1.0
|
CA
|
B:THR66
|
4.0
|
29.2
|
1.0
|
C
|
B:THR66
|
4.2
|
31.2
|
1.0
|
CA
|
B:ILE67
|
4.3
|
33.2
|
1.0
|
CB
|
B:THR66
|
4.3
|
33.9
|
1.0
|
CD1
|
B:ILE4
|
4.8
|
30.3
|
1.0
|
O
|
B:LEU65
|
4.8
|
25.4
|
1.0
|
CG2
|
B:THR66
|
4.8
|
33.1
|
1.0
|
|
Reference:
F.Wang,
Z.Mei,
Y.Qi,
C.Yan,
S.Xiang,
Z.Zhou,
Q.Hu,
J.Wang,
Y.Shi.
Crystal Structure of the Meca Degradation Tag To Be Published.
Page generated: Sun Aug 11 15:23:48 2024
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