Iron in PDB 7vvs: PLL9 Induced Tmftn Nanocage

All present enzymatic activity of PLL9 Induced Tmftn Nanocage:
1.16.3.2;

The structure of PLL9 Induced Tmftn Nanocage, PDB code: 7vvs was solved by G.Zhao, X.Zhang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.69 / 2.20
Space group	H 3 2 1
Cell size a, b, c (Å), α, β, γ (°)	176.193, 176.193, 357.508, 90, 90, 120
R / Rfree (%)	18 / 22.7

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 16;

Binding sites:

The binding sites of Iron atom in the PLL9 Induced Tmftn Nanocage (pdb code 7vvs). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 16 binding sites of Iron where determined in the PLL9 Induced Tmftn Nanocage, PDB code: 7vvs:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iron binding site 1 out of 16 in the PLL9 Induced Tmftn Nanocage


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of PLL9 Induced Tmftn Nanocage within 5.0Å range: probe atom residue distance (Å) B Occ H:Fe201 b:28.9 occ:0.94 OE1 H:GLU52 2.0 27.0 1.0 ND1 H:HIS55 2.2 27.4 1.0 OE1 H:GLU19 2.2 28.4 1.0 O H:HOH311 2.2 27.4 1.0 FE H:FE202 2.8 52.6 0.6 CE1 H:HIS55 3.0 31.7 1.0 HE1 H:HIS55 3.1 38.0 1.0 CD H:GLU19 3.1 30.4 1.0 CD H:GLU52 3.1 26.4 1.0 CG H:HIS55 3.3 29.9 1.0 OE2 H:GLU19 3.4 31.2 1.0 HB2 H:HIS55 3.5 27.6 1.0 HG11 H:VAL99 3.5 32.7 1.0 HB3 H:HIS55 3.6 27.6 1.0 OE2 H:GLU52 3.6 32.7 1.0 CB H:HIS55 3.7 23.0 1.0 HA H:GLU52 3.7 33.2 1.0 OE1 H:GLN129 4.0 25.7 1.0 NE2 H:HIS55 4.2 28.2 1.0 HB3 H:GLU52 4.3 30.7 1.0 CD2 H:HIS55 4.3 27.0 1.0 HB3 H:GLU19 4.4 25.3 1.0 CG H:GLU52 4.4 28.7 1.0 CG1 H:VAL99 4.4 27.2 1.0 HA H:GLU19 4.5 26.5 1.0 CG H:GLU19 4.5 24.3 1.0 HG H:SER22 4.5 34.9 1.0 CA H:GLU52 4.6 27.7 1.0 CB H:GLU52 4.6 25.6 1.0 HG12 H:VAL99 4.6 32.7 1.0 HG13 H:VAL99 4.7 32.7 1.0 OE2 H:GLU96 4.8 48.4 1.0 HB2 H:SER22 4.8 22.0 1.0 HG3 H:GLU19 4.8 29.1 1.0 CB H:GLU19 4.9 21.1 1.0 OE1 H:GLU96 4.9 35.3 1.0 HG3 H:GLU52 4.9 34.5 1.0 HD1 H:PHE125 4.9 39.9 1.0 HG21 H:VAL99 4.9 31.9 1.0 HE2 H:HIS55 4.9 33.8 1.0 HE1 H:PHE125 5.0 41.2 1.0

Iron binding site 2 out of 16 in the PLL9 Induced Tmftn Nanocage


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of PLL9 Induced Tmftn Nanocage within 5.0Å range: probe atom residue distance (Å) B Occ H:Fe202 b:52.6 occ:0.57 OE2 H:GLU52 2.4 32.7 1.0 OE2 H:GLU96 2.4 48.4 1.0 OE1 H:GLU96 2.6 35.3 1.0 FE H:FE201 2.8 28.9 0.9 CD H:GLU96 2.8 44.7 1.0 OE1 H:GLU52 2.8 27.0 1.0 CD H:GLU52 2.9 26.4 1.0 OE1 H:GLU132 3.2 48.0 1.0 HE1 H:HIS55 3.2 38.0 1.0 OE1 H:GLN129 3.4 25.7 1.0 HG3 H:GLU132 3.5 53.0 1.0 CD H:GLU132 3.6 37.0 1.0 HE21 H:GLN48 3.8 44.2 1.0 CE1 H:HIS55 3.8 31.7 1.0 HE22 H:GLN129 3.8 31.5 1.0 HG11 H:VAL99 3.9 32.7 1.0 ND1 H:HIS55 3.9 27.4 1.0 CG H:GLU132 4.0 44.1 1.0 O H:HOH311 4.0 27.4 1.0 HH H:TYR26 4.1 53.0 1.0 HB3 H:GLU132 4.1 36.3 1.0 HE2 H:TYR26 4.1 32.7 1.0 HE22 H:GLN48 4.2 44.2 1.0 CG H:GLU96 4.3 34.3 1.0 NE2 H:GLN48 4.3 36.8 1.0 OE2 H:GLU132 4.3 47.3 1.0 CD H:GLN129 4.3 25.4 1.0 HG3 H:GLU96 4.4 41.2 1.0 NE2 H:GLN129 4.4 26.3 1.0 CG H:GLU52 4.4 28.7 1.0 HG21 H:VAL99 4.5 31.9 1.0 CB H:GLU132 4.5 30.3 1.0 HB2 H:GLU132 4.6 36.3 1.0 HG2 H:GLU96 4.7 41.2 1.0 OE1 H:GLU19 4.7 28.4 1.0 HG3 H:GLU52 4.7 34.5 1.0 HA H:GLU96 4.8 34.6 1.0 HG2 H:GLU52 4.8 34.5 1.0 CG1 H:VAL99 4.8 27.2 1.0 OH H:TYR26 4.8 44.2 1.0 HB3 H:SER22 4.8 22.0 1.0 HG2 H:GLU132 4.9 53.0 1.0 HB H:VAL99 4.9 32.8 1.0 HG12 H:VAL99 4.9 32.7 1.0 CE2 H:TYR26 4.9 27.3 1.0 HG H:SER22 5.0 34.9 1.0 HA H:GLU52 5.0 33.2 1.0

Iron binding site 3 out of 16 in the PLL9 Induced Tmftn Nanocage


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of PLL9 Induced Tmftn Nanocage within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:35.4 occ:1.00 OE1 A:GLU19 2.1 30.4 1.0 OE1 A:GLU52 2.1 34.0 1.0 ND1 A:HIS55 2.2 31.1 1.0 O A:HOH311 2.3 30.8 1.0 FE A:FE202 2.8 51.7 0.4 CD A:GLU19 3.1 32.2 1.0 CE1 A:HIS55 3.1 34.5 1.0 CD A:GLU52 3.2 29.0 1.0 HE1 A:HIS55 3.2 41.4 1.0 OE2 A:GLU19 3.3 33.1 1.0 CG A:HIS55 3.3 29.5 1.0 HB2 A:HIS55 3.4 29.5 1.0 OE2 A:GLU52 3.5 31.7 1.0 HB3 A:HIS55 3.6 29.5 1.0 HG11 A:VAL99 3.6 37.9 1.0 CB A:HIS55 3.7 24.6 1.0 HA A:GLU52 3.7 32.0 1.0 O A:HOH301 3.9 41.5 1.0 OE1 A:GLN129 4.1 31.3 1.0 O A:HOH306 4.2 41.9 1.0 NE2 A:HIS55 4.3 32.5 1.0 CD2 A:HIS55 4.4 30.6 1.0 HB3 A:GLU19 4.4 28.2 1.0 CG A:GLU19 4.5 30.1 1.0 HB3 A:GLU52 4.5 29.1 1.0 CG A:GLU52 4.5 25.3 1.0 CG1 A:VAL99 4.5 31.6 1.0 HA A:GLU19 4.5 31.4 1.0 CA A:GLU52 4.6 26.7 1.0 OE1 A:GLU132 4.6 51.0 1.0 HG12 A:VAL99 4.7 37.9 1.0 CB A:GLU52 4.8 24.2 1.0 HG3 A:GLU19 4.8 36.1 1.0 HD1 A:PHE125 4.8 37.8 1.0 HG13 A:VAL99 4.8 37.9 1.0 HB2 A:SER22 4.8 28.7 1.0 CB A:GLU19 4.9 23.5 1.0 HG3 A:GLU52 5.0 30.4 1.0 OE2 A:GLU132 5.0 54.1 1.0

Iron binding site 4 out of 16 in the PLL9 Induced Tmftn Nanocage


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of PLL9 Induced Tmftn Nanocage within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe202 b:51.7 occ:0.40 OE2 A:GLU52 2.3 31.7 1.0 OE2 A:GLU132 2.3 54.1 1.0 O A:HOH301 2.4 41.5 1.0 OE1 A:GLU96 2.7 39.2 1.0 FE A:FE201 2.8 35.4 1.0 CD A:GLU132 2.9 44.5 1.0 OE1 A:GLU132 3.0 51.0 1.0 CD A:GLU52 3.1 29.0 1.0 OE1 A:GLU52 3.1 34.0 1.0 HE1 A:HIS55 3.1 41.4 1.0 OE2 A:GLU96 3.3 48.0 1.0 OE1 A:GLN129 3.3 31.3 1.0 CD A:GLU96 3.4 43.8 1.0 CE1 A:HIS55 3.7 34.5 1.0 HE21 A:GLN48 3.8 39.1 1.0 HE22 A:GLN129 3.8 33.5 1.0 ND1 A:HIS55 3.9 31.1 1.0 O A:HOH311 4.1 30.8 1.0 HG11 A:VAL99 4.1 37.9 1.0 CG A:GLU132 4.1 51.0 1.0 HE22 A:GLN48 4.1 39.1 1.0 HB3 A:GLU132 4.2 44.2 1.0 CD A:GLN129 4.2 33.1 1.0 NE2 A:GLN48 4.3 32.6 1.0 HG3 A:GLU132 4.3 61.2 1.0 HE2 A:TYR26 4.3 36.9 1.0 NE2 A:GLN129 4.4 27.9 1.0 HB2 A:GLU132 4.4 44.2 1.0 CB A:GLU132 4.5 36.9 1.0 HH A:TYR26 4.5 47.6 1.0 CG A:GLU52 4.6 25.3 1.0 O A:HOH306 4.7 41.9 1.0 HG21 A:VAL99 4.8 36.8 1.0 CG A:GLU96 4.8 29.6 1.0 HG2 A:GLU52 4.8 30.4 1.0 OE1 A:GLU19 4.8 30.4 1.0 HG2 A:GLU132 4.9 61.2 1.0 HG3 A:GLU52 4.9 30.4 1.0 CG1 A:VAL99 4.9 31.6 1.0 HG3 A:GLU96 4.9 35.5 1.0 HG3 A:GLU128 4.9 45.5 1.0 HG12 A:VAL99 5.0 37.9 1.0 HA A:GLU52 5.0 32.0 1.0

Iron binding site 5 out of 16 in the PLL9 Induced Tmftn Nanocage


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of PLL9 Induced Tmftn Nanocage within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe201 b:35.0 occ:0.91 OE1 B:GLU19 2.1 29.8 1.0 OE1 B:GLU52 2.1 36.8 1.0 O B:HOH309 2.2 31.6 1.0 ND1 B:HIS55 2.3 37.0 1.0 FE B:FE202 2.6 53.4 0.5 CD B:GLU52 3.0 36.4 1.0 CD B:GLU19 3.0 33.5 1.0 CE1 B:HIS55 3.1 34.0 1.0 HE1 B:HIS55 3.2 40.7 1.0 OE2 B:GLU52 3.3 32.6 1.0 CG B:HIS55 3.3 37.0 1.0 OE2 B:GLU19 3.4 29.8 1.0 HB3 B:HIS55 3.5 38.0 1.0 HB2 B:HIS55 3.5 38.0 1.0 HG11 B:VAL99 3.6 36.0 1.0 CB B:HIS55 3.7 31.7 1.0 HA B:GLU52 3.7 40.9 1.0 OE1 B:GLN129 4.0 35.7 1.0 HB3 B:GLU19 4.3 42.3 1.0 NE2 B:HIS55 4.3 39.6 1.0 HB3 B:GLU52 4.3 38.0 1.0 CG B:GLU52 4.3 29.6 1.0 CG B:GLU19 4.4 28.4 1.0 CD2 B:HIS55 4.4 37.3 1.0 CG1 B:VAL99 4.5 30.0 1.0 CA B:GLU52 4.5 34.1 1.0 HA B:GLU19 4.6 37.0 1.0 CB B:GLU52 4.6 31.7 1.0 HG12 B:VAL99 4.7 36.0 1.0 OE1 B:GLU132 4.7 49.5 1.0 HG21 B:VAL99 4.8 31.2 1.0 HG3 B:GLU19 4.8 34.1 1.0 CB B:GLU19 4.8 35.2 1.0 HG3 B:GLU52 4.8 35.5 1.0 OE2 B:GLU96 4.8 48.0 1.0 HB2 B:SER22 4.8 33.3 1.0 OE1 B:GLU96 4.9 40.9 1.0 HD1 B:PHE125 4.9 40.7 1.0 HG2 B:GLU52 4.9 35.5 1.0 HG13 B:VAL99 4.9 36.0 1.0

Iron binding site 6 out of 16 in the PLL9 Induced Tmftn Nanocage


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of PLL9 Induced Tmftn Nanocage within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe202 b:53.4 occ:0.47 OE2 B:GLU52 2.4 32.6 1.0 OE1 B:GLU132 2.5 49.5 1.0 FE B:FE201 2.6 35.0 0.9 OE1 B:GLU96 2.7 40.9 1.0 OE2 B:GLU96 2.9 48.0 1.0 HE1 B:HIS55 3.1 40.7 1.0 CD B:GLU96 3.1 45.7 1.0 OE1 B:GLN129 3.1 35.7 1.0 CD B:GLU52 3.1 36.4 1.0 OE1 B:GLU52 3.2 36.8 1.0 CD B:GLU132 3.3 45.0 1.0 O B:HOH309 3.6 31.6 1.0 CE1 B:HIS55 3.6 34.0 1.0 HE22 B:GLN129 3.6 41.0 1.0 ND1 B:HIS55 3.7 37.0 1.0 OE2 B:GLU132 3.8 55.2 1.0 HE21 B:GLN48 3.8 43.8 1.0 CD B:GLN129 4.0 36.1 1.0 HG11 B:VAL99 4.1 36.0 1.0 HE22 B:GLN48 4.1 43.8 1.0 NE2 B:GLN129 4.2 34.1 1.0 HB2 B:GLU132 4.3 52.1 1.0 NE2 B:GLN48 4.3 36.5 1.0 HB3 B:GLU132 4.3 52.1 1.0 CG B:GLU132 4.4 49.3 1.0 HE2 B:TYR26 4.5 32.0 1.0 OE1 B:GLU19 4.5 29.8 1.0 HH B:TYR26 4.5 39.0 1.0 CG B:GLU96 4.5 32.9 1.0 CB B:GLU132 4.6 43.5 1.0 CG B:GLU52 4.6 29.6 1.0 HG21 B:VAL99 4.6 31.2 1.0 HG3 B:GLU96 4.7 39.5 1.0 HG3 B:GLU132 4.7 59.2 1.0 HG12 B:VAL99 4.7 36.0 1.0 CG1 B:VAL99 4.8 30.0 1.0 HG2 B:GLU52 4.8 35.5 1.0 HG3 B:GLU52 4.9 35.5 1.0 NE2 B:HIS55 4.9 39.6 1.0 HB B:VAL99 4.9 34.9 1.0 HA B:GLN129 5.0 39.6 1.0 HA B:GLU52 5.0 40.9 1.0

Iron binding site 7 out of 16 in the PLL9 Induced Tmftn Nanocage


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of PLL9 Induced Tmftn Nanocage within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe201 b:35.6 occ:1.00 ND1 C:HIS55 2.1 33.6 1.0 OE1 C:GLU52 2.2 31.0 1.0 O C:HOH318 2.3 32.2 1.0 OE1 C:GLU19 2.3 34.1 1.0 FE C:FE202 2.7 49.6 0.5 CE1 C:HIS55 2.9 35.2 1.0 HE1 C:HIS55 3.0 42.3 1.0 CD C:GLU52 3.1 35.2 1.0 O C:HOH301 3.2 52.2 1.0 CD C:GLU19 3.2 35.1 1.0 CG C:HIS55 3.3 33.6 1.0 OE2 C:GLU52 3.4 35.4 1.0 OE2 C:GLU19 3.4 37.0 1.0 HB3 C:HIS55 3.5 31.1 1.0 HB2 C:HIS55 3.6 31.1 1.0 HG11 C:VAL99 3.6 42.0 1.0 HA C:GLU52 3.6 38.3 1.0 CB C:HIS55 3.7 25.9 1.0 OE1 C:GLN129 4.1 33.1 1.0 NE2 C:HIS55 4.1 32.6 1.0 HB3 C:GLU52 4.3 35.9 1.0 CD2 C:HIS55 4.3 34.5 1.0 HA C:GLU19 4.4 32.3 1.0 CG C:GLU52 4.4 34.4 1.0 CG1 C:VAL99 4.5 35.0 1.0 CA C:GLU52 4.5 31.9 1.0 HB3 C:GLU19 4.5 32.8 1.0 CG C:GLU19 4.6 31.1 1.0 HG12 C:VAL99 4.6 42.0 1.0 CB C:GLU52 4.6 29.9 1.0 OE1 C:GLU96 4.8 46.6 1.0 HB2 C:SER22 4.8 33.6 1.0 HG13 C:VAL99 4.9 42.0 1.0 HE2 C:HIS55 4.9 39.2 1.0 HB3 C:SER22 4.9 33.6 1.0 OE2 C:GLU96 4.9 48.9 1.0 HG3 C:GLU19 4.9 37.2 1.0 HG21 C:VAL99 4.9 42.9 1.0 HD1 C:PHE125 5.0 41.1 1.0 CB C:GLU19 5.0 27.3 1.0 HG3 C:GLU52 5.0 41.3 1.0

Iron binding site 8 out of 16 in the PLL9 Induced Tmftn Nanocage


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of PLL9 Induced Tmftn Nanocage within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe202 b:49.6 occ:0.51 OE2 C:GLU52 2.4 35.4 1.0 OE1 C:GLU96 2.4 46.6 1.0 O C:HOH301 2.5 52.2 1.0 FE C:FE201 2.7 35.6 1.0 OE2 C:GLU96 2.8 48.9 1.0 CD C:GLU96 2.9 46.6 1.0 OE1 C:GLU132 3.0 43.6 1.0 HE1 C:HIS55 3.0 42.3 1.0 OE1 C:GLU52 3.1 31.0 1.0 CD C:GLU52 3.1 35.2 1.0 OE1 C:GLN129 3.3 33.1 1.0 HG3 C:GLU132 3.4 55.9 1.0 CD C:GLU132 3.5 42.4 1.0 CE1 C:HIS55 3.7 35.2 1.0 HE22 C:GLN129 3.8 40.1 1.0 ND1 C:HIS55 3.8 33.6 1.0 HE21 C:GLN48 3.9 37.5 1.0 CG C:GLU132 3.9 46.6 1.0 O C:HOH318 3.9 32.2 1.0 HG11 C:VAL99 4.0 42.0 1.0 HB3 C:GLU132 4.0 48.3 1.0 CD C:GLN129 4.2 32.2 1.0 HE22 C:GLN48 4.2 37.5 1.0 HH C:TYR26 4.3 49.2 1.0 HE2 C:TYR26 4.3 38.2 1.0 NE2 C:GLN129 4.3 33.4 1.0 OE2 C:GLU132 4.3 49.1 1.0 NE2 C:GLN48 4.4 31.3 1.0 CG C:GLU96 4.4 41.8 1.0 CB C:GLU132 4.4 40.3 1.0 HB2 C:GLU132 4.4 48.3 1.0 HG3 C:GLU96 4.6 50.1 1.0 CG C:GLU52 4.6 34.4 1.0 HG12 C:VAL99 4.6 42.0 1.0 CG1 C:VAL99 4.7 35.0 1.0 HG21 C:VAL99 4.7 42.9 1.0 HA C:GLU96 4.7 41.1 1.0 HG2 C:GLU132 4.8 55.9 1.0 OE1 C:GLU19 4.8 34.1 1.0 HB C:VAL99 4.8 44.6 1.0 HG2 C:GLU96 4.9 50.1 1.0 HG2 C:GLU52 4.9 41.3 1.0 HG3 C:GLU52 5.0 41.3 1.0 HB3 C:SER22 5.0 33.6 1.0 NE2 C:HIS55 5.0 32.6 1.0 OH C:TYR26 5.0 41.0 1.0

Iron binding site 9 out of 16 in the PLL9 Induced Tmftn Nanocage


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 9 of PLL9 Induced Tmftn Nanocage within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe201 b:38.6 occ:1.00 ND1 D:HIS55 2.0 38.5 1.0 OE1 D:GLU52 2.0 37.2 1.0 OE1 D:GLU19 2.2 34.7 1.0 O D:HOH304 2.3 32.1 1.0 FE D:FE202 2.8 58.9 0.5 CE1 D:HIS55 2.8 48.0 1.0 HE1 D:HIS55 2.9 57.6 1.0 CD D:GLU52 3.0 41.3 1.0 CD D:GLU19 3.1 36.5 1.0 CG D:HIS55 3.2 38.5 1.0 OE2 D:GLU52 3.4 36.1 1.0 OE2 D:GLU19 3.4 34.4 1.0 HB2 D:HIS55 3.5 37.1 1.0 HB3 D:HIS55 3.5 37.1 1.0 HG11 D:VAL99 3.6 43.9 1.0 CB D:HIS55 3.6 30.9 1.0 HA D:GLU52 3.6 35.9 1.0 NE2 D:HIS55 4.0 38.2 1.0 OE1 D:GLN129 4.1 38.8 1.0 CD2 D:HIS55 4.2 36.3 1.0 HB3 D:GLU52 4.3 37.5 1.0 CG D:GLU52 4.4 34.6 1.0 HB3 D:GLU19 4.4 33.3 1.0 CG1 D:VAL99 4.5 36.6 1.0 CG D:GLU19 4.5 32.2 1.0 CA D:GLU52 4.5 29.9 1.0 HA D:GLU19 4.6 37.2 1.0 OE2 D:GLU96 4.6 47.9 1.0 CB D:GLU52 4.6 31.3 1.0 HG12 D:VAL99 4.7 43.9 1.0 HG13 D:VAL99 4.7 43.9 1.0 HE2 D:HIS55 4.8 45.8 1.0 OE1 D:GLU96 4.8 45.6 1.0 HG3 D:GLU19 4.8 38.7 1.0 HB2 D:SER22 4.8 36.6 1.0 HG3 D:GLU52 4.9 41.5 1.0 CB D:GLU19 4.9 27.8 1.0 HG21 D:VAL99 4.9 48.6 1.0 HD1 D:PHE125 4.9 46.2 1.0 HG2 D:GLU52 4.9 41.5 1.0 HG3 D:GLU132 4.9 60.4 1.0 HE1 D:PHE125 5.0 44.9 1.0

Iron binding site 10 out of 16 in the PLL9 Induced Tmftn Nanocage


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 10 of PLL9 Induced Tmftn Nanocage within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe202 b:58.9 occ:0.53 OE2 D:GLU52 2.2 36.1 1.0 OE2 D:GLU96 2.4 47.9 1.0 OE1 D:GLU96 2.5 45.6 1.0 CD D:GLU96 2.7 48.0 1.0 FE D:FE201 2.8 38.6 1.0 CD D:GLU52 3.0 41.3 1.0 HE1 D:HIS55 3.1 57.6 1.0 OE1 D:GLU52 3.1 37.2 1.0 HG3 D:GLU132 3.2 60.4 1.0 OE1 D:GLU132 3.3 48.2 1.0 OE1 D:GLN129 3.5 38.8 1.0 CD D:GLU132 3.5 48.7 1.0 HE21 D:GLN48 3.6 49.2 1.0 CE1 D:HIS55 3.7 48.0 1.0 CG D:GLU132 3.7 50.4 1.0 HE22 D:GLN129 3.8 43.3 1.0 HB3 D:GLU132 3.9 63.7 1.0 ND1 D:HIS55 3.9 38.5 1.0 HG11 D:VAL99 4.0 43.9 1.0 HE22 D:GLN48 4.0 49.2 1.0 O D:HOH304 4.1 32.1 1.0 HE2 D:TYR26 4.1 42.6 1.0 HH D:TYR26 4.1 51.5 1.0 NE2 D:GLN48 4.2 41.0 1.0 CG D:GLU96 4.2 39.8 1.0 OE2 D:GLU132 4.2 56.4 1.0 CB D:GLU132 4.2 53.1 1.0 HB2 D:GLU132 4.2 63.7 1.0 HG3 D:GLU96 4.4 47.8 1.0 CD D:GLN129 4.4 38.3 1.0 NE2 D:GLN129 4.4 36.1 1.0 CG D:GLU52 4.4 34.6 1.0 HG21 D:VAL99 4.6 48.6 1.0 HG2 D:GLU132 4.6 60.4 1.0 HG2 D:GLU96 4.6 47.8 1.0 HG2 D:GLU52 4.7 41.5 1.0 OE1 D:GLU19 4.7 34.7 1.0 HG3 D:GLU52 4.7 41.5 1.0 CG1 D:VAL99 4.8 36.6 1.0 HA D:GLU96 4.9 50.7 1.0 OH D:TYR26 5.0 42.9 1.0 HB D:VAL99 5.0 46.4 1.0 HB3 D:SER22 5.0 36.6 1.0 NE2 D:HIS55 5.0 38.2 1.0 HA D:GLU52 5.0 35.9 1.0 CE2 D:TYR26 5.0 35.5 1.0 HG12 D:VAL99 5.0 43.9 1.0

G.Zhao, X.Zhang. PLL9 Induced Tmftn Nanocage To Be Published.