Iodine in PDB 7n3c: Crystal Structure of Human Fab S24-202 in the Complex with the N- Teminal Domain of Nucleocapsid Protein From Sars Cov-2

The structure of Crystal Structure of Human Fab S24-202 in the Complex with the N- Teminal Domain of Nucleocapsid Protein From Sars Cov-2, PDB code: 7n3c was solved by Y.Kim, N.Maltseva, C.Tesar, R.Jedrzejczak, H.Dugan, C.Stamper, P.Wilson, A.Joachimiak, Center For Structural Genomics Of Infectious Diseases(Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.51 / 1.82
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	72.622, 64.02, 89.209, 90, 91.09, 90
R / Rfree (%)	17.9 / 21

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 12;

Binding sites:

The binding sites of Iodine atom in the Crystal Structure of Human Fab S24-202 in the Complex with the N- Teminal Domain of Nucleocapsid Protein From Sars Cov-2 (pdb code 7n3c). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 12 binding sites of Iodine where determined in the Crystal Structure of Human Fab S24-202 in the Complex with the N- Teminal Domain of Nucleocapsid Protein From Sars Cov-2, PDB code: 7n3c:
Jump to Iodine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iodine binding site 1 out of 12 in the Crystal Structure of Human Fab S24-202 in the Complex with the N- Teminal Domain of Nucleocapsid Protein From Sars Cov-2


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 Human Fab S24-202 in the Complex with the N- Teminal Domain of Nucleocapsid Protein From Sars Cov-2 within 5.0Å range: probe atom residue distance (Å) B Occ H:I306 b:28.0 occ:0.92 O L:HOH502 3.2 47.0 1.0 NE H:ARG50 3.6 27.0 1.0 ND2 H:ASN59 3.7 45.6 1.0 NH2 H:ARG50 4.1 32.5 1.0 CH2 H:TRP47 4.1 26.1 1.0 CD1 L:TRP94 4.2 30.9 1.0 CG H:ARG50 4.2 22.6 1.0 CB L:TRP94 4.2 28.9 1.0 C2 L:EDO301 4.2 30.9 1.0 CB H:ASN59 4.3 31.1 1.0 CD2 L:LEU96 4.3 27.4 1.0 CG L:LEU96 4.3 27.2 1.0 CZ3 H:TRP33 4.3 28.8 1.0 CZ H:ARG50 4.3 34.7 1.0 CZ2 H:TRP47 4.4 25.0 1.0 CG H:ASN59 4.5 42.1 1.0 CD H:ARG50 4.5 26.4 1.0 CA L:TRP94 4.5 26.8 1.0 CG L:TRP94 4.6 30.4 1.0 CD1 L:LEU96 4.7 27.6 1.0 O2 L:EDO301 4.9 37.6 1.0 N L:TRP94 4.9 27.9 1.0 CH2 H:TRP33 4.9 32.3 1.0

Iodine binding site 2 out of 12 in the Crystal Structure of Human Fab S24-202 in the Complex with the N- Teminal Domain of Nucleocapsid Protein From Sars Cov-2


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 Human Fab S24-202 in the Complex with the N- Teminal Domain of Nucleocapsid Protein From Sars Cov-2 within 5.0Å range: probe atom residue distance (Å) B Occ H:I307 b:29.1 occ:0.83 N H:SER126 3.7 26.1 1.0 OG H:SER126 3.8 30.7 1.0 O H:HOH452 3.9 40.5 1.0 CG H:PRO14 4.1 27.3 1.0 CB H:SER126 4.1 27.3 1.0 CB H:ALA88 4.2 23.9 1.0 CA H:SER125 4.4 25.8 1.0 C H:SER125 4.5 22.7 1.0 CA H:SER126 4.5 30.5 1.0 CD H:PRO14 4.8 24.9 1.0 OG H:SER125 4.9 30.8 1.0 O H:HOH547 4.9 52.4 1.0

Iodine binding site 3 out of 12 in the Crystal Structure of Human Fab S24-202 in the Complex with the N- Teminal Domain of Nucleocapsid Protein From Sars Cov-2


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 Human Fab S24-202 in the Complex with the N- Teminal Domain of Nucleocapsid Protein From Sars Cov-2 within 5.0Å range: probe atom residue distance (Å) B Occ H:I308 b:140.9 occ:0.89 O H:HOH405 3.0 32.5 1.0 CA H:PRO62 4.0 31.9 1.0 CB H:PRO62 4.1 32.8 1.0 CG H:PRO62 4.3 35.9 1.0 CB H:GLN65 4.4 31.6 1.0 CG H:GLN65 4.4 35.3 1.0 CH2 L:TRP94 4.5 35.1 1.0 CZ2 L:TRP94 4.6 32.0 1.0 NE2 H:GLN65 4.6 32.5 1.0 N H:PRO62 4.8 29.0 1.0 O H:PRO62 4.8 35.1 1.0 C H:PRO62 4.9 34.1 1.0 CD H:GLN65 5.0 40.2 1.0

Iodine binding site 4 out of 12 in the Crystal Structure of Human Fab S24-202 in the Complex with the N- Teminal Domain of Nucleocapsid Protein From Sars Cov-2


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 Human Fab S24-202 in the Complex with the N- Teminal Domain of Nucleocapsid Protein From Sars Cov-2 within 5.0Å range: probe atom residue distance (Å) B Occ H:I309 b:39.9 occ:0.49 O L:HOH408 3.6 42.8 1.0 CB L:GLN160 3.9 40.0 1.0 O H:HOH468 4.0 44.0 1.0 CG L:GLN160 4.0 52.8 1.0 CG H:GLN184 4.0 39.2 1.0 CG1 H:VAL182 4.1 44.8 1.0 OE1 H:GLN184 4.2 47.1 1.0 O H:HOH531 4.3 31.8 1.0 CD H:GLN184 4.4 41.2 1.0 CB H:VAL182 4.4 40.8 1.0 CB L:THR178 4.5 37.7 1.0 CB H:SER190 4.6 35.3 1.0 OG H:SER190 4.6 42.1 1.0 CG2 L:THR178 4.7 42.9 1.0 OG1 L:THR180 4.7 51.5 1.0 OG1 L:THR178 4.9 37.3 1.0

Iodine binding site 5 out of 12 in the Crystal Structure of Human Fab S24-202 in the Complex with the N- Teminal Domain of Nucleocapsid Protein From Sars Cov-2


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 Human Fab S24-202 in the Complex with the N- Teminal Domain of Nucleocapsid Protein From Sars Cov-2 within 5.0Å range: probe atom residue distance (Å) B Occ L:I303 b:26.3 occ:0.78 N L:PHE98 3.7 24.0 1.0 O L:HOH462 3.7 33.3 1.0 N H:TRP47 3.7 19.2 1.0 O H:HOH410 3.8 32.8 1.0 CA H:GLU46 4.0 23.9 1.0 CA L:THR97 4.0 23.2 1.0 C H:GLU46 4.4 21.2 1.0 CD2 L:PHE98 4.4 23.6 1.0 C L:THR97 4.4 21.4 1.0 CB L:THR97 4.4 25.4 1.0 O L:LEU96 4.5 26.0 1.0 CB L:PHE98 4.5 20.6 1.0 CG2 L:THR97 4.5 26.1 1.0 O H:LEU45 4.5 24.3 1.0 O L:PHE98 4.5 24.8 1.0 CB H:TRP47 4.5 25.1 1.0 CB H:GLU46 4.6 23.8 1.0 CA L:PHE98 4.6 25.8 1.0 CA H:TRP47 4.7 20.8 1.0 O L:HOH476 4.8 42.2 1.0 O H:HOH511 4.9 43.9 1.0 CG L:PHE98 4.9 22.2 1.0 O H:TRP47 5.0 26.1 1.0

Iodine binding site 6 out of 12 in the Crystal Structure of Human Fab S24-202 in the Complex with the N- Teminal Domain of Nucleocapsid Protein From Sars Cov-2


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 Human Fab S24-202 in the Complex with the N- Teminal Domain of Nucleocapsid Protein From Sars Cov-2 within 5.0Å range: probe atom residue distance (Å) B Occ L:I304 b:87.7 occ:0.50 N L:ILE117 3.5 40.8 1.0 CA L:PHE116 3.8 42.1 1.0 CG2 L:ILE117 4.0 41.4 1.0 O L:ILE117 4.1 42.6 1.0 C L:PHE116 4.2 41.4 1.0 CD L:LYS207 4.2 42.0 1.0 CB L:PHE116 4.4 41.5 1.0 CB H:SER140 4.4 71.0 0.9 CG L:LYS207 4.4 44.3 1.0 CB L:LYS207 4.4 45.7 1.0 O L:VAL115 4.4 40.8 1.0 CA L:ILE117 4.5 41.6 1.0 OG H:SER140 4.6 76.3 0.9 CD2 L:PHE116 4.6 45.4 1.0 O H:HOH492 4.8 49.6 1.0 C L:ILE117 4.8 41.2 1.0 CB L:ILE117 4.8 44.7 1.0 N L:PHE116 4.9 39.0 1.0 CG L:PHE116 4.9 40.1 1.0

Iodine binding site 7 out of 12 in the Crystal Structure of Human Fab S24-202 in the Complex with the N- Teminal Domain of Nucleocapsid Protein From Sars Cov-2


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 Human Fab S24-202 in the Complex with the N- Teminal Domain of Nucleocapsid Protein From Sars Cov-2 within 5.0Å range: probe atom residue distance (Å) B Occ L:I305 b:58.5 occ:0.39 O L:HOH498 3.2 55.4 1.0 NH1 L:ARG61 3.6 38.4 1.0 N L:ARG61 3.6 39.9 1.0 CB L:ARG61 3.8 42.3 1.0 N L:ALA60 4.0 39.9 1.0 CB L:PRO59 4.0 44.7 1.0 CG L:ARG61 4.1 40.1 1.0 CD L:ARG61 4.2 40.9 1.0 CA L:ARG61 4.3 38.4 1.0 C L:ALA60 4.5 40.6 1.0 CB L:ALA60 4.5 43.1 1.0 CA L:ALA60 4.5 39.5 1.0 C L:PRO59 4.6 36.7 1.0 CA L:PRO59 4.7 40.0 1.0 CZ L:ARG61 4.7 39.0 1.0 O L:HOH445 4.9 44.4 1.0 O L:HOH471 4.9 49.1 1.0 NE L:ARG61 4.9 40.1 1.0

Iodine binding site 8 out of 12 in the Crystal Structure of Human Fab S24-202 in the Complex with the N- Teminal Domain of Nucleocapsid Protein From Sars Cov-2


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 Human Fab S24-202 in the Complex with the N- Teminal Domain of Nucleocapsid Protein From Sars Cov-2 within 5.0Å range: probe atom residue distance (Å) B Occ C:I203 b:68.2 occ:0.32 CE C:LYS65 3.5 65.9 1.0 CD C:LYS65 3.6 55.6 1.0 N C:PRO67 3.8 31.3 1.0 C C:PHE66 3.9 33.6 1.0 CG C:LYS65 4.1 52.1 1.0 O C:PHE66 4.1 30.9 1.0 CA C:PRO67 4.1 31.5 1.0 CD C:PRO67 4.2 31.8 1.0 CG C:PRO67 4.5 34.1 1.0 CA C:PHE66 4.6 33.3 1.0 N C:PHE66 4.7 32.3 1.0 CB C:PRO67 4.7 32.6 1.0 CB C:LYS65 4.8 38.2 1.0 O C:HOH385 5.0 26.4 1.0

Iodine binding site 9 out of 12 in the Crystal Structure of Human Fab S24-202 in the Complex with the N- Teminal Domain of Nucleocapsid Protein From Sars Cov-2


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 Human Fab S24-202 in the Complex with the N- Teminal Domain of Nucleocapsid Protein From Sars Cov-2 within 5.0Å range: probe atom residue distance (Å) B Occ C:I204 b:35.1 occ:0.43 N C:LYS169 3.6 36.3 1.0 CE C:LYS169 3.7 52.3 1.0 CA C:PRO168 3.9 36.9 1.0 CB C:PRO168 3.9 36.7 1.0 CG C:GLU62 4.1 53.2 1.0 CG C:LYS169 4.2 40.7 1.0 OE1 C:GLU62 4.2 58.2 1.0 C C:PRO168 4.3 37.0 1.0 CD C:GLU62 4.3 54.9 1.0 CB C:LYS169 4.4 42.0 1.0 CA C:LYS169 4.6 38.3 1.0 CD C:LYS169 4.6 46.6 1.0 CB C:GLU62 4.7 44.3 1.0 NZ C:LYS169 4.9 56.9 1.0

Iodine binding site 10 out of 12 in the Crystal Structure of Human Fab S24-202 in the Complex with the N- Teminal Domain of Nucleocapsid Protein From Sars Cov-2


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 Human Fab S24-202 in the Complex with the N- Teminal Domain of Nucleocapsid Protein From Sars Cov-2 within 5.0Å range: probe atom residue distance (Å) B Occ C:I205 b:118.3 occ:0.76 O C:HOH393 3.0 42.6 1.0 NE C:ARG95 3.4 63.6 1.0 CB C:ARG95 3.8 64.2 1.0 NH2 C:ARG95 3.9 64.6 1.0 CG C:ARG95 4.1 66.3 1.0 CZ C:ARG95 4.1 65.2 1.0 CD C:ARG95 4.3 65.1 1.0 N C:ARG95 4.6 60.6 1.0 CA C:ARG95 4.8 62.9 1.0 SD C:MET101 4.9 92.2 1.0

Y.Kim, N.Maltseva, C.Tesar, R.Jedrzejczak, H.Dugan, C.Stamper, P.Wilson, A.Joachimiak, Center For Structural Genomics Of Infectious Diseases(Csgid). Crystal Structure of Human Fab S24-202 in the Complex with the N-Teminal Domain of Nucleocapsid Protein From Sars Cov-2 To Be Published.