Iodine in PDB 8trv: Structure of the EPHA2 Lbdcrd Bound to FABS1C_C1

All present enzymatic activity of Structure of the EPHA2 Lbdcrd Bound to FABS1C_C1:
2.7.10.1;

The structure of Structure of the EPHA2 Lbdcrd Bound to FABS1C_C1, PDB code: 8trv was solved by A.U.Singer, H.A.Bruce, L.Blazer, J.J.Adams, F.Sicheri, S.S.Sidhu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	131.72 / 3.25
Space group	P 21 2 21
Cell size a, b, c (Å), α, β, γ (°)	73.933, 110.558, 263.443, 90, 90, 90
R / Rfree (%)	21.7 / 27.2

The structure of Structure of the EPHA2 Lbdcrd Bound to FABS1C_C1 also contains other interesting chemical elements:

Sodium	(Na)	4 atoms
Chlorine	(Cl)	10 atoms

The binding sites of Iodine atom in the Structure of the EPHA2 Lbdcrd Bound to FABS1C_C1 (pdb code 8trv). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 5 binding sites of Iodine where determined in the Structure of the EPHA2 Lbdcrd Bound to FABS1C_C1, PDB code: 8trv:
Jump to Iodine binding site number: 1; 2; 3; 4; 5;

Iodine binding site 1 out of 5 in the Structure of the EPHA2 Lbdcrd Bound to FABS1C_C1


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Structure of the EPHA2 Lbdcrd Bound to FABS1C_C1 within 5.0Å range: probe atom residue distance (Å) B Occ A:I401 b:240.7 occ:1.00 NH1 A:ARG93 3.7 131.4 1.0 O A:SER169 4.0 122.8 1.0 CZ A:ARG93 4.4 127.7 1.0 OG A:SER169 4.4 122.1 1.0 NH2 A:ARG93 4.5 126.0 1.0 C A:SER169 4.9 122.8 1.0

Iodine binding site 2 out of 5 in the Structure of the EPHA2 Lbdcrd Bound to FABS1C_C1


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of Structure of the EPHA2 Lbdcrd Bound to FABS1C_C1 within 5.0Å range: probe atom residue distance (Å) B Occ G:I301 b:121.2 occ:1.00 OG G:SER28 2.7 105.7 1.0 CG2 G:THR85 3.6 104.0 1.0 NH2 G:ARG80 3.7 109.8 1.0 O G:GLY84 3.7 104.2 1.0 CB G:SER28 3.7 105.6 1.0 C G:GLY84 3.7 103.9 1.0 OG1 D:THR29 3.7 121.3 1.0 OD1 D:ASN85 3.9 107.9 1.0 CG D:ASN85 3.9 108.9 1.0 ND2 D:ASN85 4.0 110.1 1.0 CA G:GLY84 4.0 105.2 1.0 CA G:SER28 4.2 105.7 1.0 N G:THR85 4.2 100.2 1.0 CA D:THR29 4.3 116.7 1.0 CZ G:ARG80 4.4 108.4 1.0 CB D:THR29 4.5 119.1 1.0 CB D:ASN85 4.6 109.5 1.0 O D:PHE28 4.7 106.7 1.0 CA G:THR85 4.8 100.3 1.0 CB G:THR85 4.8 102.3 1.0 N D:THR29 4.9 117.7 1.0 CG2 D:THR29 5.0 119.5 1.0 NH1 G:ARG80 5.0 110.0 1.0

Iodine binding site 3 out of 5 in the Structure of the EPHA2 Lbdcrd Bound to FABS1C_C1


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 3 of Structure of the EPHA2 Lbdcrd Bound to FABS1C_C1 within 5.0Å range: probe atom residue distance (Å) B Occ D:I302 b:220.8 occ:1.00 CE D:LYS234 3.8 120.3 1.0 CG D:GLU236 4.0 122.4 1.0 CG2 D:THR217 4.1 114.4 1.0 OE2 D:GLU236 4.2 128.4 1.0 O D:LEU213 4.5 120.8 1.0 CD D:PRO237 4.5 119.4 1.0 CD D:GLU236 4.6 123.6 1.0 O D:GLY214 4.7 122.2 1.0 CA D:THR217 4.8 108.0 1.0 CB D:THR217 4.8 111.3 1.0 O D:GLN216 4.8 110.7 1.0 CD D:LYS234 4.9 114.2 1.0

Iodine binding site 4 out of 5 in the Structure of the EPHA2 Lbdcrd Bound to FABS1C_C1


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 4 of Structure of the EPHA2 Lbdcrd Bound to FABS1C_C1 within 5.0Å range: probe atom residue distance (Å) B Occ E:I301 b:206.2 occ:1.00 C E:ARG126 4.5 112.5 1.0 CA E:ARG126 4.5 110.1 1.0 CD E:LYS125 4.5 118.0 1.0 N E:THR127 4.6 106.0 1.0 N E:ARG126 4.7 110.2 1.0 CG2 E:THR127 4.7 112.4 1.0 O E:LYS125 4.8 108.2 1.0 C E:LYS125 4.8 109.1 1.0 O E:ARG126 4.9 113.9 1.0 OG E:SER14 5.0 111.9 1.0

Iodine binding site 5 out of 5 in the Structure of the EPHA2 Lbdcrd Bound to FABS1C_C1


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 5 of Structure of the EPHA2 Lbdcrd Bound to FABS1C_C1 within 5.0Å range: probe atom residue distance (Å) B Occ B:I401 b:107.7 occ:1.00 N B:TRP253 3.7 119.5 1.0 NE G:ARG75 3.8 105.3 1.0 CB G:ARG75 3.9 101.2 1.0 N G:ARG75 4.0 99.7 1.0 CD1 B:TRP253 4.2 106.2 1.0 CB B:TRP253 4.2 114.0 1.0 CD1 B:LEU204 4.3 113.8 1.0 CA B:GLU252 4.3 119.7 1.0 CA G:ARG75 4.4 99.5 1.0 N G:SER74 4.4 106.3 1.0 C B:GLU252 4.5 119.3 1.0 NH2 G:ARG75 4.5 108.5 1.0 CD G:ARG75 4.5 102.6 1.0 CA B:TRP253 4.5 119.2 1.0 CB G:PRO72 4.6 107.6 1.0 CG G:ARG75 4.6 100.3 1.0 CG B:TRP253 4.6 109.7 1.0 CZ G:ARG75 4.6 106.2 1.0 O B:TRP253 4.7 126.4 1.0 C G:SER74 4.8 104.8 1.0 O B:GLY251 4.9 119.4 1.0 CB B:GLU252 4.9 122.5 1.0 CD B:PRO202 5.0 117.5 1.0

J.J.Adams, H.A.Bruce, L.Ploder, J.Garcia, G.Khutoreskaya, N.Jarvik, L.E.Costa, M.Gorelik, I.Pot, F.Sicheri, L.L.Blazer, A.U.Singer, S.S.Sidhu. Synthetic Antibodies Targeting EPHA2 Induce Diverse Signaling-Competent Clusters with Differential Activation To Be Published.