Iodine in PDB 1qms: Head-to-Tail Dimer of Calicheamicin Gamma-1-I Oligosaccharide Bound to Dna Duplex, uc(Nmr), 9 Structures

The binding sites of Iodine atom in the Head-to-Tail Dimer of Calicheamicin Gamma-1-I Oligosaccharide Bound to Dna Duplex, uc(Nmr), 9 Structures (pdb code 1qms). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 2 binding sites of Iodine where determined in the Head-to-Tail Dimer of Calicheamicin Gamma-1-I Oligosaccharide Bound to Dna Duplex, uc(Nmr), 9 Structures, PDB code: 1qms:
Jump to Iodine binding site number: 1; 2;

Iodine binding site 1 out of 2 in the Head-to-Tail Dimer of Calicheamicin Gamma-1-I Oligosaccharide Bound to Dna Duplex, uc(Nmr), 9 Structures


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Head-to-Tail Dimer of Calicheamicin Gamma-1-I Oligosaccharide Bound to Dna Duplex, uc(Nmr), 9 Structures within 5.0Å range: probe atom residue distance (Å) B Occ B:I25 b:0.0 occ:1.00 I B:CCI25 0.0 0.0 1.0 H3D B:CCI25 2.9 0.0 1.0 H4' A:DT6 3.0 0.0 1.0 C3C B:CCI25 3.1 0.0 1.0 H7C2 B:CCI25 3.1 0.0 1.0 H7D2 B:CCI25 3.3 0.0 1.0 H5' A:DT7 3.4 0.0 1.0 O3' A:DT6 3.7 0.0 1.0 H32 B:NBU26 3.7 0.0 1.0 H5D B:CCI25 3.8 0.0 1.0 C4C B:CCI25 3.9 0.0 1.0 OCD B:CCI25 4.0 0.0 1.0 C7C B:CCI25 4.0 0.0 1.0 H1' A:DT6 4.0 0.0 1.0 C3D B:CCI25 4.0 0.0 1.0 C2C B:CCI25 4.0 0.0 1.0 C4' A:DT6 4.0 0.0 1.0 O4D B:CCI25 4.2 0.0 1.0 C7D B:CCI25 4.3 0.0 1.0 C5' A:DT7 4.4 0.0 1.0 H7C3 B:CCI25 4.4 0.0 1.0 C3' A:DT6 4.5 0.0 1.0 O3D B:CCI25 4.5 0.0 1.0 C4D B:CCI25 4.6 0.0 1.0 OP1 A:DT7 4.6 0.0 1.0 O4' A:DT6 4.6 0.0 1.0 C5D B:CCI25 4.7 0.0 1.0 H7D3 B:CCI25 4.7 0.0 1.0 H5'' A:DT7 4.7 0.0 1.0 P A:DT7 4.7 0.0 1.0 C1' A:DT6 4.8 0.0 1.0 H7C1 B:CCI25 4.8 0.0 1.0 C3 B:NBU26 4.8 0.0 1.0 C2D B:CCI25 4.9 0.0 1.0 HAN1 B:CCI27 5.0 0.0 1.0 C1D B:CCI25 5.0 0.0 1.0 O5' A:DT7 5.0 0.0 1.0

Iodine binding site 2 out of 2 in the Head-to-Tail Dimer of Calicheamicin Gamma-1-I Oligosaccharide Bound to Dna Duplex, uc(Nmr), 9 Structures


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of Head-to-Tail Dimer of Calicheamicin Gamma-1-I Oligosaccharide Bound to Dna Duplex, uc(Nmr), 9 Structures within 5.0Å range: probe atom residue distance (Å) B Occ B:I27 b:0.0 occ:1.00 I B:CCI27 0.0 0.0 1.0 C3C B:CCI27 3.0 0.0 1.0 H7C3 B:CCI27 3.2 0.0 1.0 H5'' A:DT10 3.3 0.0 1.0 H6D2 B:CCI27 3.6 0.0 1.0 OCD B:CCI27 3.8 0.0 1.0 C4C B:CCI27 3.9 0.0 1.0 C2C B:CCI27 4.0 0.0 1.0 C7C B:CCI27 4.0 0.0 1.0 C5' A:DT10 4.2 0.0 1.0 H4' A:DT10 4.2 0.0 1.0 H5' A:DT10 4.3 0.0 1.0 H7C1 B:CCI27 4.4 0.0 1.0 H5D B:CCI27 4.6 0.0 1.0 OD B:CCI27 4.6 0.0 1.0 C6D B:CCI27 4.7 0.0 1.0 C4' A:DT10 4.7 0.0 1.0 C1D B:CCI27 4.8 0.0 1.0 H7C2 B:CCI27 4.8 0.0 1.0 C5D B:CCI27 4.9 0.0 1.0 O3' A:DT10 4.9 0.0 1.0 OP1 A:DT10 4.9 0.0 1.0

G.Bifulco, A.Galeone, K.C.Nicolaou, W.J.Chazin, L.Gomez-Paloma. Solution Structure of the Complex Between the Head-to-Tail Dimer of Calicheamicin Gamma-1-I Oligosaccharide and A Dna Duplex Containing D(Acct) and D(Tcct) High-Affinity Binding Sites J.Am.Chem.Soc. V. 120 7183 1998.
ISSN: ISSN 0002-7863
DOI: 10.1021/JA973910Y