Iodine in PDB 6lcm: Crystal Structure of Chloroplast Resolvase ZMMOC1 with the Magic Triangle I3C

The structure of Crystal Structure of Chloroplast Resolvase ZMMOC1 with the Magic Triangle I3C, PDB code: 6lcm was solved by J.J.Yan, S.X.Hong, Z.Y.Guan, P.Yin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.00 / 2.50
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	49.136, 49.136, 141.831, 90.00, 90.00, 90.00
R / Rfree (%)	22.3 / 28

The binding sites of Iodine atom in the Crystal Structure of Chloroplast Resolvase ZMMOC1 with the Magic Triangle I3C (pdb code 6lcm). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 9 binding sites of Iodine where determined in the Crystal Structure of Chloroplast Resolvase ZMMOC1 with the Magic Triangle I3C, PDB code: 6lcm:
Jump to Iodine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9;

Iodine binding site 1 out of 9 in the Crystal Structure of Chloroplast Resolvase ZMMOC1 with the Magic Triangle I3C


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 Chloroplast Resolvase ZMMOC1 with the Magic Triangle I3C within 5.0Å range: probe atom residue distance (Å) B Occ C:I201 b:0.7 occ:1.00 I3 C:I3C201 0.0 0.7 1.0 C6 C:I3C201 2.1 92.0 1.0 C5 C:I3C201 3.0 91.3 1.0 C1 C:I3C201 3.1 93.5 1.0 N13 C:I3C201 3.2 88.7 1.0 C7 C:I3C201 3.2 96.8 1.0 O9 C:I3C201 3.3 98.2 1.0 O8 C:I3C201 4.0 99.2 1.0 C4 C:I3C201 4.4 92.4 1.0 C2 C:I3C201 4.4 92.0 1.0 CB C:ASP124 4.6 35.0 1.0 NH2 C:ARG127 4.7 26.6 1.0 C3 C:I3C201 4.9 91.5 1.0 CG C:ASP124 4.9 43.8 1.0

Iodine binding site 2 out of 9 in the Crystal Structure of Chloroplast Resolvase ZMMOC1 with the Magic Triangle I3C


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 Chloroplast Resolvase ZMMOC1 with the Magic Triangle I3C within 5.0Å range: probe atom residue distance (Å) B Occ C:I201 b:0.7 occ:1.00 I2 C:I3C201 0.0 0.7 1.0 C4 C:I3C201 2.1 92.4 1.0 C5 C:I3C201 3.0 91.3 1.0 C3 C:I3C201 3.1 91.5 1.0 N13 C:I3C201 3.2 88.7 1.0 C10 C:I3C201 3.3 87.4 1.0 O12 C:I3C201 3.6 85.2 1.0 O11 C:I3C201 3.9 85.6 1.0 C6 C:I3C201 4.3 92.0 1.0 C2 C:I3C201 4.4 92.0 1.0 C1 C:I3C201 4.9 93.5 1.0

Iodine binding site 3 out of 9 in the Crystal Structure of Chloroplast Resolvase ZMMOC1 with the Magic Triangle I3C


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 Chloroplast Resolvase ZMMOC1 with the Magic Triangle I3C within 5.0Å range: probe atom residue distance (Å) B Occ C:I201 b:0.4 occ:1.00 I1 C:I3C201 0.0 0.4 1.0 C2 C:I3C201 2.1 92.0 1.0 C3 C:I3C201 3.1 91.5 1.0 C1 C:I3C201 3.1 93.5 1.0 C10 C:I3C201 3.2 87.4 1.0 C7 C:I3C201 3.3 96.8 1.0 O8 C:I3C201 3.3 99.2 1.0 O11 C:I3C201 3.5 85.6 1.0 O C:LEU141 3.7 29.4 1.0 OG C:SER131 3.7 32.6 1.0 O12 C:I3C201 3.8 85.2 1.0 O C:ARG127 3.9 18.6 1.0 C C:ARG127 4.0 12.4 1.0 O9 C:I3C201 4.1 98.2 1.0 OD1 C:ASP138 4.1 49.5 1.0 NH1 C:ARG127 4.1 23.6 1.0 N C:GLN128 4.2 16.5 1.0 CB C:SER131 4.2 27.0 1.0 CA C:GLN128 4.3 20.5 1.0 CB C:ARG127 4.3 15.9 1.0 C4 C:I3C201 4.4 92.4 1.0 C6 C:I3C201 4.4 92.0 1.0 CB C:LEU141 4.5 16.5 1.0 C C:LEU141 4.5 31.3 1.0 CA C:ARG127 4.8 13.5 1.0 C5 C:I3C201 4.9 91.3 1.0 CB C:GLN128 4.9 15.8 1.0

Iodine binding site 4 out of 9 in the Crystal Structure of Chloroplast Resolvase ZMMOC1 with the Magic Triangle I3C


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 Chloroplast Resolvase ZMMOC1 with the Magic Triangle I3C within 5.0Å range: probe atom residue distance (Å) B Occ C:I202 b:0.4 occ:1.00 I3 C:I3C202 0.0 0.4 1.0 C6 C:I3C202 2.1 0.2 1.0 C5 C:I3C202 3.0 98.7 1.0 C1 C:I3C202 3.1 0.1 1.0 N13 C:I3C202 3.2 95.4 1.0 OD1 C:ASP46 3.2 26.2 1.0 C7 C:I3C202 3.3 94.1 1.0 N C:THR47 3.4 14.3 1.0 O9 C:I3C202 3.6 92.3 1.0 CA C:ASP46 3.8 12.7 1.0 O C:HOH307 3.8 29.7 1.0 O8 C:I3C202 3.8 91.7 1.0 C C:ASP46 4.0 14.2 1.0 CG C:ASP46 4.0 17.3 1.0 O C:LEU45 4.2 20.0 1.0 CB C:THR47 4.3 14.6 1.0 C4 C:I3C202 4.3 99.2 1.0 C2 C:I3C202 4.4 0.6 1.0 OG1 C:THR47 4.4 13.6 1.0 CA C:THR47 4.4 19.1 1.0 N C:LYS48 4.4 26.4 1.0 CB C:ASP46 4.5 16.1 1.0 CG1 C:VAL33 4.7 12.0 1.0 CG2 C:VAL33 4.8 12.9 1.0 N C:ASP46 4.9 16.8 1.0 C3 C:I3C202 4.9 0.1 1.0 OD2 C:ASP46 4.9 16.4 1.0 C C:THR47 4.9 24.4 1.0 C C:LEU45 5.0 18.0 1.0

Iodine binding site 5 out of 9 in the Crystal Structure of Chloroplast Resolvase ZMMOC1 with the Magic Triangle I3C


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 Chloroplast Resolvase ZMMOC1 with the Magic Triangle I3C within 5.0Å range: probe atom residue distance (Å) B Occ C:I202 b:0.0 occ:1.00 I2 C:I3C202 0.0 0.0 1.0 O C:HOH329 2.1 20.7 1.0 C4 C:I3C202 2.1 99.2 1.0 C5 C:I3C202 3.0 98.7 1.0 C3 C:I3C202 3.0 0.1 1.0 N13 C:I3C202 3.2 95.4 1.0 C10 C:I3C202 3.2 95.9 1.0 O11 C:I3C202 3.7 93.6 1.0 O12 C:I3C202 3.7 93.3 1.0 C6 C:I3C202 4.3 0.2 1.0 C2 C:I3C202 4.4 0.6 1.0 C1 C:I3C202 4.9 0.1 1.0

Iodine binding site 6 out of 9 in the Crystal Structure of Chloroplast Resolvase ZMMOC1 with the Magic Triangle I3C


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 Chloroplast Resolvase ZMMOC1 with the Magic Triangle I3C within 5.0Å range: probe atom residue distance (Å) B Occ C:I202 b:0.7 occ:1.00 I1 C:I3C202 0.0 0.7 1.0 C2 C:I3C202 2.1 0.6 1.0 C1 C:I3C202 3.0 0.1 1.0 C3 C:I3C202 3.1 0.1 1.0 C7 C:I3C202 3.2 94.1 1.0 C10 C:I3C202 3.3 95.9 1.0 O8 C:I3C202 3.5 91.7 1.0 O12 C:I3C202 3.7 93.3 1.0 O11 C:I3C202 3.7 93.6 1.0 O9 C:I3C202 3.8 92.3 1.0 C6 C:I3C202 4.4 0.2 1.0 C4 C:I3C202 4.4 99.2 1.0 C5 C:I3C202 4.9 98.7 1.0

Iodine binding site 7 out of 9 in the Crystal Structure of Chloroplast Resolvase ZMMOC1 with the Magic Triangle I3C


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 Chloroplast Resolvase ZMMOC1 with the Magic Triangle I3C within 5.0Å range: probe atom residue distance (Å) B Occ C:I203 b:0.0 occ:1.00 I3 C:I3C203 0.0 0.0 1.0 C6 C:I3C203 2.1 0.4 1.0 C5 C:I3C203 3.0 1.0 1.0 O8 C:I3C203 3.1 0.7 1.0 C1 C:I3C203 3.1 0.7 1.0 N13 C:I3C203 3.1 0.4 1.0 C7 C:I3C203 3.3 0.3 1.0 O C:HOH326 4.0 19.1 1.0 O C:PRO104 4.2 21.6 1.0 O C:HOH315 4.2 40.9 1.0 C4 C:I3C203 4.3 0.8 1.0 C2 C:I3C203 4.4 0.1 1.0 O9 C:I3C203 4.4 1.0 1.0 N C:ALA106 4.5 24.7 1.0 CB C:PRO104 4.5 15.9 1.0 C C:PRO104 4.6 21.4 1.0 C3 C:I3C203 4.9 0.0 1.0 C C:VAL105 4.9 27.1 1.0 CB C:ALA106 4.9 16.3 1.0 N C:VAL105 4.9 20.5 1.0

Iodine binding site 8 out of 9 in the Crystal Structure of Chloroplast Resolvase ZMMOC1 with the Magic Triangle I3C


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 Chloroplast Resolvase ZMMOC1 with the Magic Triangle I3C within 5.0Å range: probe atom residue distance (Å) B Occ C:I203 b:1.0 occ:1.00 I2 C:I3C203 0.0 1.0 1.0 C4 C:I3C203 2.1 0.8 1.0 C3 C:I3C203 3.0 0.0 1.0 C5 C:I3C203 3.0 1.0 1.0 N13 C:I3C203 3.2 0.4 1.0 C10 C:I3C203 3.2 0.4 1.0 O11 C:I3C203 3.6 0.6 1.0 O12 C:I3C203 3.8 0.8 1.0 C2 C:I3C203 4.4 0.1 1.0 C6 C:I3C203 4.4 0.4 1.0 C1 C:I3C203 4.9 0.7 1.0

Iodine binding site 9 out of 9 in the Crystal Structure of Chloroplast Resolvase ZMMOC1 with the Magic Triangle I3C


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 Chloroplast Resolvase ZMMOC1 with the Magic Triangle I3C within 5.0Å range: probe atom residue distance (Å) B Occ C:I203 b:0.2 occ:1.00 I1 C:I3C203 0.0 0.2 1.0 C2 C:I3C203 2.1 0.1 1.0 O9 C:I3C203 3.0 1.0 1.0 C3 C:I3C203 3.0 0.0 1.0 C1 C:I3C203 3.1 0.7 1.0 C10 C:I3C203 3.2 0.4 1.0 C7 C:I3C203 3.3 0.3 1.0 O12 C:I3C203 3.5 0.8 1.0 O11 C:I3C203 3.7 0.6 1.0 O C:HOH317 3.7 29.2 1.0 OG C:SER71 3.7 53.1 1.0 O C:LYS69 4.0 53.5 1.0 CD C:LYS69 4.0 40.9 1.0 C4 C:I3C203 4.3 0.8 1.0 NZ C:LYS69 4.4 42.3 1.0 C6 C:I3C203 4.4 0.4 1.0 O8 C:I3C203 4.4 0.7 1.0 O C:SER70 4.4 49.3 1.0 C C:LYS69 4.7 48.3 1.0 CE C:LYS69 4.8 34.8 1.0 C C:SER70 4.9 57.4 1.0 C5 C:I3C203 4.9 1.0 1.0

J.Yan, S.Hong, Z.Guan, W.He, D.Zhang, P.Yin. Structural Insights Into Sequence-Dependent Holliday Junction Resolution By the Chloroplast Resolvase MOC1. Nat Commun V. 11 1417 2020.
ISSN: ESSN 2041-1723
PubMed: 32184398
DOI: 10.1038/S41467-020-15242-8