Iodine in PDB 7nak: Cryo-Em Structure of Activated Human SARM1 in Complex with Nmn and 1AD (Tir:1AD)
Enzymatic activity of Cryo-Em Structure of Activated Human SARM1 in Complex with Nmn and 1AD (Tir:1AD)
All present enzymatic activity of Cryo-Em Structure of Activated Human SARM1 in Complex with Nmn and 1AD (Tir:1AD):
3.2.2.6;
Iodine Binding Sites:
The binding sites of Iodine atom in the Cryo-Em Structure of Activated Human SARM1 in Complex with Nmn and 1AD (Tir:1AD)
(pdb code 7nak). This binding sites where shown within
5.0 Angstroms radius around Iodine atom.
In total 8 binding sites of Iodine where determined in the
Cryo-Em Structure of Activated Human SARM1 in Complex with Nmn and 1AD (Tir:1AD), PDB code: 7nak:
Jump to Iodine binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
Iodine binding site 1 out
of 8 in 7nak
Go back to
Iodine Binding Sites List in 7nak
Iodine binding site 1 out
of 8 in the Cryo-Em Structure of Activated Human SARM1 in Complex with Nmn and 1AD (Tir:1AD)
Mono view
Stereo pair view
|
A full contact list of Iodine with other atoms in the I binding
site number 1 of Cryo-Em Structure of Activated Human SARM1 in Complex with Nmn and 1AD (Tir:1AD) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:I801
b:23.4
occ:1.00
|
I46
|
D:1QD801
|
0.0
|
23.4
|
1.0
|
C42
|
D:1QD801
|
2.1
|
23.4
|
1.0
|
C43
|
D:1QD801
|
3.1
|
23.4
|
1.0
|
C39
|
D:1QD801
|
3.1
|
23.4
|
1.0
|
OD1
|
C:ASN679
|
3.1
|
17.4
|
1.0
|
C40
|
D:1QD801
|
3.3
|
23.4
|
1.0
|
HD21
|
D:LEU598
|
3.4
|
16.6
|
1.0
|
HD22
|
D:LEU598
|
3.4
|
16.6
|
1.0
|
HA
|
C:ASN679
|
3.6
|
17.4
|
1.0
|
CG
|
D:PHE603
|
3.7
|
19.4
|
1.0
|
CD1
|
D:PHE603
|
3.7
|
19.4
|
1.0
|
HB3
|
D:PHE603
|
3.8
|
19.4
|
1.0
|
CD2
|
D:LEU598
|
3.9
|
16.6
|
1.0
|
HD1
|
D:PHE603
|
3.9
|
19.4
|
1.0
|
C24
|
D:1QD801
|
4.0
|
23.4
|
1.0
|
CG
|
C:ASN679
|
4.0
|
17.4
|
1.0
|
HB2
|
D:PHE603
|
4.1
|
19.4
|
1.0
|
CD2
|
D:PHE603
|
4.1
|
19.4
|
1.0
|
N25
|
D:1QD801
|
4.1
|
23.4
|
1.0
|
CB
|
D:PHE603
|
4.1
|
19.4
|
1.0
|
CE1
|
D:PHE603
|
4.1
|
19.4
|
1.0
|
HB2
|
C:ASN679
|
4.3
|
17.4
|
1.0
|
N23
|
D:1QD801
|
4.3
|
23.4
|
1.0
|
C38
|
D:1QD801
|
4.4
|
23.4
|
1.0
|
C44
|
D:1QD801
|
4.4
|
23.4
|
1.0
|
HD23
|
D:LEU598
|
4.4
|
16.6
|
1.0
|
CA
|
C:ASN679
|
4.4
|
17.4
|
1.0
|
CE2
|
D:PHE603
|
4.4
|
19.4
|
1.0
|
HD2
|
D:PHE603
|
4.5
|
19.4
|
1.0
|
CZ
|
D:PHE603
|
4.5
|
19.4
|
1.0
|
CB
|
C:ASN679
|
4.5
|
17.4
|
1.0
|
C26
|
D:1QD801
|
4.5
|
23.4
|
1.0
|
HE1
|
D:PHE603
|
4.5
|
19.4
|
1.0
|
H
|
C:GLY680
|
4.6
|
17.0
|
1.0
|
C41
|
D:1QD801
|
4.7
|
23.4
|
1.0
|
C22
|
D:1QD801
|
4.8
|
23.4
|
1.0
|
HG
|
D:LEU598
|
4.8
|
16.6
|
1.0
|
C21
|
D:1QD801
|
4.9
|
23.4
|
1.0
|
C45
|
D:1QD801
|
4.9
|
23.4
|
1.0
|
HE2
|
D:PHE603
|
5.0
|
19.4
|
1.0
|
|
Iodine binding site 2 out
of 8 in 7nak
Go back to
Iodine Binding Sites List in 7nak
Iodine binding site 2 out
of 8 in the Cryo-Em Structure of Activated Human SARM1 in Complex with Nmn and 1AD (Tir:1AD)
Mono view
Stereo pair view
|
A full contact list of Iodine with other atoms in the I binding
site number 2 of Cryo-Em Structure of Activated Human SARM1 in Complex with Nmn and 1AD (Tir:1AD) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:I801
b:30.5
occ:1.00
|
I46
|
C:1QD801
|
0.0
|
30.5
|
1.0
|
C42
|
C:1QD801
|
2.1
|
30.5
|
1.0
|
C43
|
C:1QD801
|
3.1
|
30.5
|
1.0
|
C39
|
C:1QD801
|
3.1
|
30.5
|
1.0
|
OD1
|
H:ASN679
|
3.2
|
31.3
|
1.0
|
C40
|
C:1QD801
|
3.3
|
30.5
|
1.0
|
HD23
|
C:LEU598
|
3.4
|
24.5
|
1.0
|
HD22
|
C:LEU598
|
3.5
|
24.5
|
1.0
|
HA
|
H:ASN679
|
3.6
|
31.3
|
1.0
|
HB3
|
C:PHE603
|
3.7
|
28.9
|
1.0
|
CG
|
C:PHE603
|
3.8
|
28.9
|
1.0
|
HB2
|
C:PHE603
|
3.8
|
28.9
|
1.0
|
CG
|
H:ASN679
|
3.9
|
31.3
|
1.0
|
CD2
|
C:LEU598
|
3.9
|
24.5
|
1.0
|
CD2
|
C:PHE603
|
3.9
|
28.9
|
1.0
|
N25
|
C:1QD801
|
3.9
|
30.5
|
1.0
|
CB
|
C:PHE603
|
4.0
|
28.9
|
1.0
|
HD2
|
C:PHE603
|
4.0
|
28.9
|
1.0
|
C26
|
C:1QD801
|
4.1
|
30.5
|
1.0
|
C24
|
C:1QD801
|
4.2
|
30.5
|
1.0
|
HB2
|
H:ASN679
|
4.2
|
31.3
|
1.0
|
CD1
|
C:PHE603
|
4.3
|
28.9
|
1.0
|
HD21
|
C:LEU598
|
4.3
|
24.5
|
1.0
|
H
|
H:GLY680
|
4.3
|
32.9
|
1.0
|
C44
|
C:1QD801
|
4.4
|
30.5
|
1.0
|
C38
|
C:1QD801
|
4.4
|
30.5
|
1.0
|
CB
|
H:ASN679
|
4.4
|
31.3
|
1.0
|
CA
|
H:ASN679
|
4.5
|
31.3
|
1.0
|
CE2
|
C:PHE603
|
4.5
|
28.9
|
1.0
|
N27
|
C:1QD801
|
4.5
|
30.5
|
1.0
|
C21
|
C:1QD801
|
4.5
|
30.5
|
1.0
|
HH22
|
C:ARG570
|
4.5
|
22.5
|
1.0
|
HD1
|
C:PHE603
|
4.6
|
28.9
|
1.0
|
N23
|
C:1QD801
|
4.6
|
30.5
|
1.0
|
ND2
|
H:ASN679
|
4.7
|
31.3
|
1.0
|
C41
|
C:1QD801
|
4.7
|
30.5
|
1.0
|
HD22
|
H:ASN679
|
4.7
|
31.3
|
1.0
|
CE1
|
C:PHE603
|
4.8
|
28.9
|
1.0
|
C22
|
C:1QD801
|
4.8
|
30.5
|
1.0
|
CZ
|
C:PHE603
|
4.9
|
28.9
|
1.0
|
HE2
|
C:PHE603
|
4.9
|
28.9
|
1.0
|
C45
|
C:1QD801
|
4.9
|
30.5
|
1.0
|
|
Iodine binding site 3 out
of 8 in 7nak
Go back to
Iodine Binding Sites List in 7nak
Iodine binding site 3 out
of 8 in the Cryo-Em Structure of Activated Human SARM1 in Complex with Nmn and 1AD (Tir:1AD)
Mono view
Stereo pair view
|
A full contact list of Iodine with other atoms in the I binding
site number 3 of Cryo-Em Structure of Activated Human SARM1 in Complex with Nmn and 1AD (Tir:1AD) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
G:I801
b:34.5
occ:1.00
|
I46
|
G:1QD801
|
0.0
|
34.5
|
1.0
|
C42
|
G:1QD801
|
2.1
|
34.5
|
1.0
|
HD23
|
G:LEU598
|
2.9
|
26.7
|
1.0
|
C43
|
G:1QD801
|
3.0
|
34.5
|
1.0
|
HD21
|
G:LEU598
|
3.1
|
26.7
|
1.0
|
C39
|
G:1QD801
|
3.1
|
34.5
|
1.0
|
OD1
|
D:ASN679
|
3.3
|
23.1
|
1.0
|
C40
|
G:1QD801
|
3.4
|
34.5
|
1.0
|
CD2
|
G:LEU598
|
3.4
|
26.7
|
1.0
|
HA
|
D:ASN679
|
3.7
|
23.1
|
1.0
|
HD22
|
G:LEU598
|
3.8
|
26.7
|
1.0
|
HH22
|
G:ARG570
|
3.9
|
33.5
|
1.0
|
HB2
|
G:PHE603
|
3.9
|
30.4
|
1.0
|
CG
|
G:PHE603
|
3.9
|
30.4
|
1.0
|
HB3
|
G:PHE603
|
4.0
|
30.4
|
1.0
|
CD2
|
G:PHE603
|
4.1
|
30.4
|
1.0
|
CG
|
D:ASN679
|
4.1
|
23.1
|
1.0
|
CB
|
G:PHE603
|
4.2
|
30.4
|
1.0
|
HD2
|
G:PHE603
|
4.2
|
30.4
|
1.0
|
C24
|
G:1QD801
|
4.3
|
34.5
|
1.0
|
CD1
|
G:PHE603
|
4.3
|
30.4
|
1.0
|
C44
|
G:1QD801
|
4.4
|
34.5
|
1.0
|
C38
|
G:1QD801
|
4.4
|
34.5
|
1.0
|
HH12
|
G:ARG570
|
4.5
|
33.5
|
1.0
|
N25
|
G:1QD801
|
4.5
|
34.5
|
1.0
|
N23
|
G:1QD801
|
4.5
|
34.5
|
1.0
|
CE2
|
G:PHE603
|
4.5
|
30.4
|
1.0
|
HB2
|
D:ASN679
|
4.6
|
23.1
|
1.0
|
CA
|
D:ASN679
|
4.6
|
23.1
|
1.0
|
HD1
|
G:PHE603
|
4.6
|
30.4
|
1.0
|
CB
|
D:ASN679
|
4.7
|
23.1
|
1.0
|
H
|
D:GLY680
|
4.7
|
20.4
|
1.0
|
NH2
|
G:ARG570
|
4.7
|
33.5
|
1.0
|
CG
|
G:LEU598
|
4.7
|
26.7
|
1.0
|
CE1
|
G:PHE603
|
4.7
|
30.4
|
1.0
|
HG
|
G:LEU598
|
4.7
|
26.7
|
1.0
|
C41
|
G:1QD801
|
4.8
|
34.5
|
1.0
|
CZ
|
G:PHE603
|
4.8
|
30.4
|
1.0
|
ND2
|
D:ASN679
|
4.9
|
23.1
|
1.0
|
C45
|
G:1QD801
|
4.9
|
34.5
|
1.0
|
C26
|
G:1QD801
|
4.9
|
34.5
|
1.0
|
C22
|
G:1QD801
|
4.9
|
34.5
|
1.0
|
HB3
|
G:LEU598
|
4.9
|
26.7
|
1.0
|
HE2
|
G:PHE603
|
5.0
|
30.4
|
1.0
|
HD22
|
D:ASN679
|
5.0
|
23.1
|
1.0
|
|
Iodine binding site 4 out
of 8 in 7nak
Go back to
Iodine Binding Sites List in 7nak
Iodine binding site 4 out
of 8 in the Cryo-Em Structure of Activated Human SARM1 in Complex with Nmn and 1AD (Tir:1AD)
Mono view
Stereo pair view
|
A full contact list of Iodine with other atoms in the I binding
site number 4 of Cryo-Em Structure of Activated Human SARM1 in Complex with Nmn and 1AD (Tir:1AD) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:I801
b:19.3
occ:1.00
|
I46
|
B:1QD801
|
0.0
|
19.3
|
1.0
|
C42
|
B:1QD801
|
2.1
|
19.3
|
1.0
|
C43
|
B:1QD801
|
3.1
|
19.3
|
1.0
|
C39
|
B:1QD801
|
3.1
|
19.3
|
1.0
|
C40
|
B:1QD801
|
3.3
|
19.3
|
1.0
|
OD1
|
E:ASN679
|
3.6
|
19.1
|
1.0
|
HA
|
E:ASN679
|
3.6
|
19.1
|
1.0
|
HD23
|
B:LEU598
|
3.7
|
15.3
|
1.0
|
HD21
|
B:LEU598
|
3.7
|
15.3
|
1.0
|
CG
|
B:PHE603
|
3.9
|
17.4
|
1.0
|
CD1
|
B:PHE603
|
3.9
|
17.4
|
1.0
|
CD2
|
B:PHE603
|
4.0
|
17.4
|
1.0
|
N25
|
B:1QD801
|
4.0
|
19.3
|
1.0
|
CG
|
E:ASN679
|
4.1
|
19.1
|
1.0
|
C26
|
B:1QD801
|
4.1
|
19.3
|
1.0
|
CD2
|
B:LEU598
|
4.1
|
15.3
|
1.0
|
CE1
|
B:PHE603
|
4.1
|
17.4
|
1.0
|
HB3
|
B:PHE603
|
4.2
|
17.4
|
1.0
|
CE2
|
B:PHE603
|
4.2
|
17.4
|
1.0
|
HD1
|
B:PHE603
|
4.2
|
17.4
|
1.0
|
CZ
|
B:PHE603
|
4.3
|
17.4
|
1.0
|
HB2
|
B:PHE603
|
4.3
|
17.4
|
1.0
|
HB2
|
E:ASN679
|
4.3
|
19.1
|
1.0
|
N27
|
B:1QD801
|
4.4
|
19.3
|
1.0
|
HD2
|
B:PHE603
|
4.4
|
17.4
|
1.0
|
C38
|
B:1QD801
|
4.4
|
19.3
|
1.0
|
HD22
|
B:LEU598
|
4.4
|
15.3
|
1.0
|
C44
|
B:1QD801
|
4.4
|
19.3
|
1.0
|
CB
|
B:PHE603
|
4.4
|
17.4
|
1.0
|
C24
|
B:1QD801
|
4.4
|
19.3
|
1.0
|
CA
|
E:ASN679
|
4.5
|
19.1
|
1.0
|
CB
|
E:ASN679
|
4.5
|
19.1
|
1.0
|
C21
|
B:1QD801
|
4.5
|
19.3
|
1.0
|
HE1
|
B:PHE603
|
4.6
|
17.4
|
1.0
|
HH12
|
B:ARG570
|
4.6
|
14.8
|
1.0
|
HH22
|
B:ARG570
|
4.6
|
14.8
|
1.0
|
C41
|
B:1QD801
|
4.6
|
19.3
|
1.0
|
HE2
|
B:PHE603
|
4.7
|
17.4
|
1.0
|
ND2
|
E:ASN679
|
4.7
|
19.1
|
1.0
|
HZ
|
B:PHE603
|
4.8
|
17.4
|
1.0
|
H
|
E:GLY680
|
4.8
|
20.5
|
1.0
|
HD22
|
E:ASN679
|
4.9
|
19.1
|
1.0
|
N23
|
B:1QD801
|
4.9
|
19.3
|
1.0
|
C22
|
B:1QD801
|
4.9
|
19.3
|
1.0
|
C45
|
B:1QD801
|
4.9
|
19.3
|
1.0
|
|
Iodine binding site 5 out
of 8 in 7nak
Go back to
Iodine Binding Sites List in 7nak
Iodine binding site 5 out
of 8 in the Cryo-Em Structure of Activated Human SARM1 in Complex with Nmn and 1AD (Tir:1AD)
Mono view
Stereo pair view
|
A full contact list of Iodine with other atoms in the I binding
site number 5 of Cryo-Em Structure of Activated Human SARM1 in Complex with Nmn and 1AD (Tir:1AD) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:I801
b:21.5
occ:1.00
|
I46
|
A:1QD801
|
0.0
|
21.5
|
1.0
|
C42
|
A:1QD801
|
2.1
|
21.5
|
1.0
|
C43
|
A:1QD801
|
3.1
|
21.5
|
1.0
|
C39
|
A:1QD801
|
3.1
|
21.5
|
1.0
|
OD1
|
B:ASN679
|
3.1
|
13.7
|
1.0
|
C40
|
A:1QD801
|
3.3
|
21.5
|
1.0
|
HD22
|
A:LEU598
|
3.6
|
16.0
|
1.0
|
HD21
|
A:LEU598
|
3.6
|
16.0
|
1.0
|
N25
|
A:1QD801
|
3.7
|
21.5
|
1.0
|
C24
|
A:1QD801
|
3.7
|
21.5
|
1.0
|
C26
|
A:1QD801
|
4.0
|
21.5
|
1.0
|
N23
|
A:1QD801
|
4.0
|
21.5
|
1.0
|
HA
|
B:ASN679
|
4.1
|
13.7
|
1.0
|
CD2
|
A:LEU598
|
4.1
|
16.0
|
1.0
|
CG
|
B:ASN679
|
4.2
|
13.7
|
1.0
|
CD1
|
A:PHE603
|
4.2
|
17.1
|
1.0
|
HH22
|
A:ARG570
|
4.2
|
19.1
|
1.0
|
C22
|
A:1QD801
|
4.3
|
21.5
|
1.0
|
C21
|
A:1QD801
|
4.3
|
21.5
|
1.0
|
C38
|
A:1QD801
|
4.4
|
21.5
|
1.0
|
C44
|
A:1QD801
|
4.4
|
21.5
|
1.0
|
CG
|
A:PHE603
|
4.4
|
17.1
|
1.0
|
CE1
|
A:PHE603
|
4.4
|
17.1
|
1.0
|
HD1
|
A:PHE603
|
4.4
|
17.1
|
1.0
|
H
|
B:GLY680
|
4.5
|
12.6
|
1.0
|
HD23
|
A:LEU598
|
4.6
|
16.0
|
1.0
|
HB3
|
A:PHE603
|
4.6
|
17.1
|
1.0
|
C41
|
A:1QD801
|
4.7
|
21.5
|
1.0
|
HE1
|
A:PHE603
|
4.7
|
17.1
|
1.0
|
N27
|
A:1QD801
|
4.7
|
21.5
|
1.0
|
CD2
|
A:PHE603
|
4.7
|
17.1
|
1.0
|
CZ
|
A:PHE603
|
4.7
|
17.1
|
1.0
|
NH2
|
A:ARG570
|
4.8
|
19.1
|
1.0
|
CE2
|
A:PHE603
|
4.8
|
17.1
|
1.0
|
HB2
|
A:PHE603
|
4.9
|
17.1
|
1.0
|
C45
|
A:1QD801
|
4.9
|
21.5
|
1.0
|
CA
|
B:ASN679
|
4.9
|
13.7
|
1.0
|
CB
|
A:PHE603
|
4.9
|
17.1
|
1.0
|
HD22
|
B:ASN679
|
5.0
|
13.7
|
1.0
|
|
Iodine binding site 6 out
of 8 in 7nak
Go back to
Iodine Binding Sites List in 7nak
Iodine binding site 6 out
of 8 in the Cryo-Em Structure of Activated Human SARM1 in Complex with Nmn and 1AD (Tir:1AD)
Mono view
Stereo pair view
|
A full contact list of Iodine with other atoms in the I binding
site number 6 of Cryo-Em Structure of Activated Human SARM1 in Complex with Nmn and 1AD (Tir:1AD) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:I801
b:40.6
occ:1.00
|
I46
|
E:1QD801
|
0.0
|
40.6
|
1.0
|
C42
|
E:1QD801
|
2.1
|
40.6
|
1.0
|
HD21
|
E:LEU598
|
3.0
|
35.8
|
1.0
|
C43
|
E:1QD801
|
3.1
|
40.6
|
1.0
|
C39
|
E:1QD801
|
3.1
|
40.6
|
1.0
|
HD12
|
E:LEU598
|
3.3
|
35.8
|
1.0
|
C40
|
E:1QD801
|
3.3
|
40.6
|
1.0
|
HD22
|
E:LEU598
|
3.5
|
35.8
|
1.0
|
CG
|
E:PHE603
|
3.5
|
39.6
|
1.0
|
CD1
|
E:PHE603
|
3.7
|
39.6
|
1.0
|
CD2
|
E:LEU598
|
3.7
|
35.8
|
1.0
|
CD2
|
E:PHE603
|
3.7
|
39.6
|
1.0
|
HD13
|
E:LEU598
|
3.7
|
35.8
|
1.0
|
HB3
|
E:PHE603
|
3.8
|
39.6
|
1.0
|
CD1
|
E:LEU598
|
3.9
|
35.8
|
1.0
|
HH22
|
E:ARG570
|
3.9
|
35.1
|
1.0
|
HB2
|
E:PHE603
|
3.9
|
39.6
|
1.0
|
CE1
|
E:PHE603
|
4.0
|
39.6
|
1.0
|
HD1
|
E:PHE603
|
4.0
|
39.6
|
1.0
|
CE2
|
E:PHE603
|
4.0
|
39.6
|
1.0
|
CB
|
E:PHE603
|
4.0
|
39.6
|
1.0
|
HD2
|
E:PHE603
|
4.1
|
39.6
|
1.0
|
CZ
|
E:PHE603
|
4.1
|
39.6
|
1.0
|
C24
|
E:1QD801
|
4.4
|
40.6
|
1.0
|
C44
|
E:1QD801
|
4.4
|
40.6
|
1.0
|
C38
|
E:1QD801
|
4.4
|
40.6
|
1.0
|
CG
|
E:LEU598
|
4.4
|
35.8
|
1.0
|
N25
|
E:1QD801
|
4.4
|
40.6
|
1.0
|
N23
|
E:1QD801
|
4.4
|
40.6
|
1.0
|
HD23
|
E:LEU598
|
4.4
|
35.8
|
1.0
|
HE1
|
E:PHE603
|
4.5
|
39.6
|
1.0
|
HE2
|
E:PHE603
|
4.5
|
39.6
|
1.0
|
C26
|
E:1QD801
|
4.6
|
40.6
|
1.0
|
C22
|
E:1QD801
|
4.6
|
40.6
|
1.0
|
C21
|
E:1QD801
|
4.6
|
40.6
|
1.0
|
C41
|
E:1QD801
|
4.7
|
40.6
|
1.0
|
HZ
|
E:PHE603
|
4.7
|
39.6
|
1.0
|
HH12
|
E:ARG570
|
4.7
|
35.1
|
1.0
|
HD11
|
E:LEU598
|
4.7
|
35.8
|
1.0
|
NH2
|
E:ARG570
|
4.8
|
35.1
|
1.0
|
HG
|
E:LEU598
|
4.9
|
35.8
|
1.0
|
C45
|
E:1QD801
|
4.9
|
40.6
|
1.0
|
|
Iodine binding site 7 out
of 8 in 7nak
Go back to
Iodine Binding Sites List in 7nak
Iodine binding site 7 out
of 8 in the Cryo-Em Structure of Activated Human SARM1 in Complex with Nmn and 1AD (Tir:1AD)
Mono view
Stereo pair view
|
A full contact list of Iodine with other atoms in the I binding
site number 7 of Cryo-Em Structure of Activated Human SARM1 in Complex with Nmn and 1AD (Tir:1AD) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
F:I801
b:44.6
occ:1.00
|
I46
|
F:1QD801
|
0.0
|
44.6
|
1.0
|
C42
|
F:1QD801
|
2.1
|
44.6
|
1.0
|
C43
|
F:1QD801
|
3.1
|
44.6
|
1.0
|
OD1
|
A:ASN679
|
3.1
|
28.5
|
1.0
|
C39
|
F:1QD801
|
3.1
|
44.6
|
1.0
|
C40
|
F:1QD801
|
3.3
|
44.6
|
1.0
|
HD21
|
F:LEU598
|
3.7
|
40.3
|
1.0
|
CD2
|
F:PHE603
|
3.9
|
39.8
|
1.0
|
HD23
|
F:LEU598
|
3.9
|
40.3
|
1.0
|
CE2
|
F:PHE603
|
3.9
|
39.8
|
1.0
|
CG
|
F:PHE603
|
4.0
|
39.8
|
1.0
|
N25
|
F:1QD801
|
4.1
|
44.6
|
1.0
|
C24
|
F:1QD801
|
4.1
|
44.6
|
1.0
|
CZ
|
F:PHE603
|
4.1
|
39.8
|
1.0
|
CD1
|
F:PHE603
|
4.1
|
39.8
|
1.0
|
HA
|
A:ASN679
|
4.1
|
28.5
|
1.0
|
CG
|
A:ASN679
|
4.2
|
28.5
|
1.0
|
HD2
|
F:PHE603
|
4.2
|
39.8
|
1.0
|
CD2
|
F:LEU598
|
4.2
|
40.3
|
1.0
|
CE1
|
F:PHE603
|
4.2
|
39.8
|
1.0
|
C26
|
F:1QD801
|
4.2
|
44.6
|
1.0
|
N23
|
F:1QD801
|
4.3
|
44.6
|
1.0
|
HE2
|
F:PHE603
|
4.3
|
39.8
|
1.0
|
C44
|
F:1QD801
|
4.4
|
44.6
|
1.0
|
C38
|
F:1QD801
|
4.4
|
44.6
|
1.0
|
HD22
|
F:LEU598
|
4.4
|
40.3
|
1.0
|
C21
|
F:1QD801
|
4.5
|
44.6
|
1.0
|
C22
|
F:1QD801
|
4.5
|
44.6
|
1.0
|
HB3
|
F:PHE603
|
4.5
|
39.8
|
1.0
|
HB2
|
F:PHE603
|
4.6
|
39.8
|
1.0
|
HZ
|
F:PHE603
|
4.6
|
39.8
|
1.0
|
HD1
|
F:PHE603
|
4.6
|
39.8
|
1.0
|
CB
|
F:PHE603
|
4.6
|
39.8
|
1.0
|
C41
|
F:1QD801
|
4.7
|
44.6
|
1.0
|
HH12
|
F:ARG570
|
4.7
|
47.7
|
1.0
|
HE1
|
F:PHE603
|
4.7
|
39.8
|
1.0
|
HH22
|
F:ARG570
|
4.8
|
47.7
|
1.0
|
HB2
|
A:ASN679
|
4.8
|
28.5
|
1.0
|
N27
|
F:1QD801
|
4.9
|
44.6
|
1.0
|
C45
|
F:1QD801
|
4.9
|
44.6
|
1.0
|
CB
|
A:ASN679
|
4.9
|
28.5
|
1.0
|
CA
|
A:ASN679
|
4.9
|
28.5
|
1.0
|
|
Iodine binding site 8 out
of 8 in 7nak
Go back to
Iodine Binding Sites List in 7nak
Iodine binding site 8 out
of 8 in the Cryo-Em Structure of Activated Human SARM1 in Complex with Nmn and 1AD (Tir:1AD)
Mono view
Stereo pair view
|
A full contact list of Iodine with other atoms in the I binding
site number 8 of Cryo-Em Structure of Activated Human SARM1 in Complex with Nmn and 1AD (Tir:1AD) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
H:I801
b:67.4
occ:1.00
|
I46
|
H:1QD801
|
0.0
|
67.4
|
1.0
|
C42
|
H:1QD801
|
2.1
|
67.4
|
1.0
|
HD21
|
H:LEU598
|
3.0
|
64.2
|
1.0
|
C43
|
H:1QD801
|
3.1
|
67.4
|
1.0
|
C39
|
H:1QD801
|
3.1
|
67.4
|
1.0
|
HD23
|
H:LEU598
|
3.2
|
64.2
|
1.0
|
C40
|
H:1QD801
|
3.3
|
67.4
|
1.0
|
CD2
|
H:LEU598
|
3.5
|
64.2
|
1.0
|
CD1
|
H:PHE603
|
3.6
|
66.8
|
1.0
|
CG
|
H:PHE603
|
3.6
|
66.8
|
1.0
|
CD2
|
H:PHE603
|
3.7
|
66.8
|
1.0
|
CE1
|
H:PHE603
|
3.7
|
66.8
|
1.0
|
CE2
|
H:PHE603
|
3.9
|
66.8
|
1.0
|
CZ
|
H:PHE603
|
3.9
|
66.8
|
1.0
|
HD1
|
H:PHE603
|
4.0
|
66.8
|
1.0
|
HG
|
H:LEU598
|
4.0
|
64.2
|
1.0
|
HB2
|
H:PHE603
|
4.2
|
66.8
|
1.0
|
HD2
|
H:PHE603
|
4.2
|
66.8
|
1.0
|
HE1
|
H:PHE603
|
4.2
|
66.8
|
1.0
|
C24
|
H:1QD801
|
4.2
|
67.4
|
1.0
|
HB3
|
H:PHE603
|
4.2
|
66.8
|
1.0
|
HD22
|
H:LEU598
|
4.3
|
64.2
|
1.0
|
CB
|
H:PHE603
|
4.3
|
66.8
|
1.0
|
HE2
|
H:PHE603
|
4.4
|
66.8
|
1.0
|
HZ
|
H:PHE603
|
4.4
|
66.8
|
1.0
|
C44
|
H:1QD801
|
4.4
|
67.4
|
1.0
|
C38
|
H:1QD801
|
4.4
|
67.4
|
1.0
|
CG
|
H:LEU598
|
4.4
|
64.2
|
1.0
|
N23
|
H:1QD801
|
4.4
|
67.4
|
1.0
|
N25
|
H:1QD801
|
4.4
|
67.4
|
1.0
|
C41
|
H:1QD801
|
4.7
|
67.4
|
1.0
|
C22
|
H:1QD801
|
4.8
|
67.4
|
1.0
|
C26
|
H:1QD801
|
4.8
|
67.4
|
1.0
|
HD12
|
H:LEU598
|
4.8
|
64.2
|
1.0
|
C45
|
H:1QD801
|
4.9
|
67.4
|
1.0
|
C21
|
H:1QD801
|
5.0
|
67.4
|
1.0
|
|
Reference:
Y.Shi,
P.S.Kerry,
J.D.Nanson,
T.Bosanac,
Y.Sasaki,
R.Krauss,
F.K.Saikot,
S.E.Adams,
T.Mosaiab,
V.Masic,
X.Mao,
F.Rose,
E.Vasquez,
M.Furrer,
K.Cunnea,
A.Brearley,
W.Gu,
Z.Luo,
L.Brillault,
M.J.Landsberg,
A.Diantonio,
B.Kobe,
J.Milbrandt,
R.O.Hughes,
T.Ve.
Structural Basis of SARM1 Activation, Substrate Recognition, and Inhibition By Small Molecules. Mol.Cell V. 82 1643 2022.
ISSN: ISSN 1097-2765
PubMed: 35334231
DOI: 10.1016/J.MOLCEL.2022.03.007
Page generated: Mon Aug 12 01:48:56 2024
|