Iodine in PDB 2jjs: Structure of Human CD47 in Complex with Human Signal Regulatory Protein (Sirp) Alpha

The structure of Structure of Human CD47 in Complex with Human Signal Regulatory Protein (Sirp) Alpha, PDB code: 2jjs was solved by D.Hatherley, S.C.Graham, J.Turner, K.Harlos, D.I.Stuart, A.N.Barclay, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	89.44 / 1.85
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	42.477, 72.410, 89.826, 90.00, 95.01, 90.00
R / Rfree (%)	16.9 / 21.3

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 18;

Binding sites:

The binding sites of Iodine atom in the Structure of Human CD47 in Complex with Human Signal Regulatory Protein (Sirp) Alpha (pdb code 2jjs). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 18 binding sites of Iodine where determined in the Structure of Human CD47 in Complex with Human Signal Regulatory Protein (Sirp) Alpha, PDB code: 2jjs:
Jump to Iodine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iodine binding site 1 out of 18 in the Structure of Human CD47 in Complex with Human Signal Regulatory Protein (Sirp) Alpha


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Structure of Human CD47 in Complex with Human Signal Regulatory Protein (Sirp) Alpha within 5.0Å range: probe atom residue distance (Å) B Occ A:I1118 b:20.7 occ:0.50 CZ A:ARG95 3.5 50.9 1.0 NH1 A:ARG95 3.6 46.1 1.0 CB A:PRO32 3.8 21.1 1.0 CG A:PRO32 3.9 19.9 1.0 NH2 A:ARG95 3.9 56.5 1.0 NE A:ARG95 3.9 45.0 1.0 CE1 A:PHE103 4.2 27.1 1.0 CZ A:PHE103 4.3 23.9 1.0 CD A:ARG95 4.3 36.4 1.0 CD A:PRO32 4.5 21.0 1.0

Iodine binding site 2 out of 18 in the Structure of Human CD47 in Complex with Human Signal Regulatory Protein (Sirp) Alpha


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of Structure of Human CD47 in Complex with Human Signal Regulatory Protein (Sirp) Alpha within 5.0Å range: probe atom residue distance (Å) B Occ A:I1119 b:33.9 occ:0.30 N A:LEU30 3.4 15.6 1.0 O A:HOH2044 3.7 32.3 1.0 OG A:SER29 3.7 22.2 1.0 CA A:SER29 4.0 18.6 1.0 CB A:LEU30 4.2 15.4 1.0 C A:SER29 4.2 16.6 1.0 CA A:LEU30 4.3 14.4 1.0 CB A:SER29 4.4 20.5 1.0 CE A:MET72 4.4 33.8 1.0 CG A:LEU30 4.5 18.5 1.0 N A:ILE31 4.6 17.4 1.0 CD1 A:LEU30 4.8 23.8 1.0 C A:LEU30 4.9 17.2 1.0 CG1 A:ILE31 4.9 22.1 1.0 O A:THR28 5.0 19.9 1.0

Iodine binding site 3 out of 18 in the Structure of Human CD47 in Complex with Human Signal Regulatory Protein (Sirp) Alpha


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 3 of Structure of Human CD47 in Complex with Human Signal Regulatory Protein (Sirp) Alpha within 5.0Å range: probe atom residue distance (Å) B Occ A:I1120 b:25.1 occ:0.50 O C:HOH2058 3.4 29.5 0.8 CA A:PRO32 3.8 19.6 1.0 CB A:PRO32 3.9 21.1 1.0 N A:VAL33 4.1 19.1 1.0 CB C:ALA53 4.5 20.0 1.0 C A:PRO32 4.5 18.7 1.0 CG2 A:VAL33 4.8 18.2 1.0 CB A:ILE31 4.8 20.2 1.0 N A:PRO32 4.9 19.4 1.0

Iodine binding site 4 out of 18 in the Structure of Human CD47 in Complex with Human Signal Regulatory Protein (Sirp) Alpha


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 4 of Structure of Human CD47 in Complex with Human Signal Regulatory Protein (Sirp) Alpha within 5.0Å range: probe atom residue distance (Å) B Occ A:I1121 b:24.5 occ:0.20 ND2 A:ASN51 3.6 16.6 1.0 CD2 A:HIS56 3.9 39.5 1.0 CG A:HIS56 4.1 33.0 1.0 NE2 A:HIS56 4.2 38.6 1.0 CZ A:PHE57 4.3 22.7 1.0 CD2 A:LEU48 4.4 17.9 1.0 OD1 A:ASN51 4.4 16.8 1.0 CG A:ASN51 4.5 13.6 1.0 CD A:LYS53 4.5 26.6 1.0 ND1 A:HIS56 4.5 38.8 1.0 CE1 A:HIS56 4.6 37.4 1.0 CB A:HIS56 4.6 29.7 1.0 CE2 A:PHE57 4.8 20.9 1.0

Iodine binding site 5 out of 18 in the Structure of Human CD47 in Complex with Human Signal Regulatory Protein (Sirp) Alpha


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 5 of Structure of Human CD47 in Complex with Human Signal Regulatory Protein (Sirp) Alpha within 5.0Å range: probe atom residue distance (Å) B Occ A:I1122 b:33.6 occ:0.30 N A:THR88 3.4 20.6 1.0 O A:HOH2115 3.8 36.6 1.0 CA A:GLY87 3.8 20.4 1.0 CA A:GLY41 4.1 21.9 1.0 C A:GLY87 4.1 19.9 1.0 N A:GLY41 4.1 22.3 1.0 CG A:ARG40 4.2 26.2 1.0 O A:THR88 4.3 19.5 1.0 CA A:THR88 4.4 20.8 1.0 CB A:THR88 4.6 23.1 1.0 OG1 A:THR88 4.7 27.4 1.0 CD A:ARG40 4.7 30.3 1.0 O A:HOH2049 4.7 37.4 1.0 C A:THR88 4.8 18.4 1.0 C A:ARG40 4.8 22.5 1.0

Iodine binding site 6 out of 18 in the Structure of Human CD47 in Complex with Human Signal Regulatory Protein (Sirp) Alpha


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 6 of Structure of Human CD47 in Complex with Human Signal Regulatory Protein (Sirp) Alpha within 5.0Å range: probe atom residue distance (Å) B Occ B:I1121 b:16.9 occ:0.50 NH1 B:ARG95 3.6 39.1 1.0 CB B:PRO32 3.8 19.6 1.0 CG B:PRO32 3.9 16.8 1.0 CE1 B:PHE103 4.1 22.2 1.0 CD B:ARG95 4.1 29.0 1.0 CZ B:PHE103 4.2 23.0 1.0 CD B:PRO32 4.4 18.3 1.0 CZ B:ARG95 4.7 41.9 1.0 NE B:ARG95 4.9 37.0 1.0

Iodine binding site 7 out of 18 in the Structure of Human CD47 in Complex with Human Signal Regulatory Protein (Sirp) Alpha


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 7 of Structure of Human CD47 in Complex with Human Signal Regulatory Protein (Sirp) Alpha within 5.0Å range: probe atom residue distance (Å) B Occ B:I1122 b:21.6 occ:0.33 O B:HOH2039 3.2 31.9 1.0 N B:LEU30 3.5 17.4 1.0 CA B:SER29 3.9 18.9 1.0 OG B:SER29 4.1 21.3 1.0 CE B:MET72 4.2 35.1 1.0 C B:SER29 4.2 14.5 1.0 CB B:LEU30 4.2 17.4 1.0 CG B:LEU30 4.2 18.8 1.0 CA B:LEU30 4.4 16.9 1.0 CD1 B:LEU30 4.5 19.4 1.0 CB B:SER29 4.6 20.3 1.0 O B:THR28 4.7 18.7 1.0

Iodine binding site 8 out of 18 in the Structure of Human CD47 in Complex with Human Signal Regulatory Protein (Sirp) Alpha


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 8 of Structure of Human CD47 in Complex with Human Signal Regulatory Protein (Sirp) Alpha within 5.0Å range: probe atom residue distance (Å) B Occ B:I1123 b:27.9 occ:0.40 O D:HOH2061 3.7 28.6 1.0 CA B:PRO32 3.8 17.8 1.0 CB B:PRO32 3.9 19.6 1.0 N B:VAL33 4.1 17.4 1.0 CB D:ALA53 4.5 18.4 1.0 C B:PRO32 4.6 18.2 1.0 CB B:ILE31 4.8 16.1 1.0 N B:PRO32 4.9 19.6 1.0 CG2 B:VAL33 4.9 15.4 1.0

Iodine binding site 9 out of 18 in the Structure of Human CD47 in Complex with Human Signal Regulatory Protein (Sirp) Alpha


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 9 of Structure of Human CD47 in Complex with Human Signal Regulatory Protein (Sirp) Alpha within 5.0Å range: probe atom residue distance (Å) B Occ B:I1124 b:28.1 occ:0.30 O B:HOH2021 3.3 28.6 1.0 N B:THR88 3.4 17.3 1.0 O B:HOH2131 3.6 34.5 1.0 CA B:GLY87 3.8 18.3 1.0 CA B:GLY41 4.0 16.8 1.0 N B:GLY41 4.1 15.6 1.0 C B:GLY87 4.1 17.7 1.0 O B:THR88 4.2 17.2 1.0 CG B:ARG40 4.3 21.6 1.0 CA B:THR88 4.4 16.6 1.0 CB B:THR88 4.5 19.1 1.0 OG1 B:THR88 4.6 23.0 1.0 C B:THR88 4.8 14.4 1.0 O B:HOH2046 4.8 33.1 1.0 C B:ARG40 4.8 16.6 1.0

Iodine binding site 10 out of 18 in the Structure of Human CD47 in Complex with Human Signal Regulatory Protein (Sirp) Alpha


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 10 of Structure of Human CD47 in Complex with Human Signal Regulatory Protein (Sirp) Alpha within 5.0Å range: probe atom residue distance (Å) B Occ B:I1125 b:29.9 occ:0.30 ND2 B:ASN51 3.6 16.0 1.0 CD2 B:HIS56 4.1 36.2 1.0 CG B:HIS56 4.2 32.9 1.0 OD1 B:ASN51 4.3 15.3 1.0 NE2 B:HIS56 4.3 35.9 1.0 O B:HOH2043 4.3 38.5 1.0 CG B:ASN51 4.4 13.7 1.0 ND1 B:HIS56 4.5 35.2 1.0 CZ B:PHE57 4.5 18.1 1.0 CD2 B:LEU48 4.5 16.6 1.0 CD B:LYS53 4.5 25.2 1.0 CE1 B:HIS56 4.5 37.8 1.0 CB B:HIS56 4.7 29.8 1.0 CE2 B:PHE57 4.8 20.7 1.0

D.Hatherley, S.C.Graham, J.Turner, K.Harlos, D.I.Stuart, A.N.Barclay. Paired Receptor Specificity Explained By Structures of Signal Regulatory Proteins Alone and Complexed with CD47. Mol. Cell V. 31 266 2008.
ISSN: ISSN 1097-4164
PubMed: 18657508
DOI: 10.1016/J.MOLCEL.2008.05.026