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)

Iodine Binding Sites:

Iodine binding site 1 out of 8 in 7nak

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

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

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

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

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

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

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

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: