Iodine in PDB 5do6: Crystal Structure of Dendroaspis Polylepis Venom Mambalgin-1 T23A Mutant

The structure of Crystal Structure of Dendroaspis Polylepis Venom Mambalgin-1 T23A Mutant, PDB code: 5do6 was solved by E.A.Stura, L.Tepshi, P.Kessler, M.Gilles, D.Servent, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	27.95 / 1.70
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	55.900, 100.990, 53.480, 90.00, 90.00, 90.00
R / Rfree (%)	17.2 / 20.5

The binding sites of Iodine atom in the Crystal Structure of Dendroaspis Polylepis Venom Mambalgin-1 T23A Mutant (pdb code 5do6). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 5 binding sites of Iodine where determined in the Crystal Structure of Dendroaspis Polylepis Venom Mambalgin-1 T23A Mutant, PDB code: 5do6:
Jump to Iodine binding site number: 1; 2; 3; 4; 5;

Iodine binding site 1 out of 5 in the Crystal Structure of Dendroaspis Polylepis Venom Mambalgin-1 T23A Mutant


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 Dendroaspis Polylepis Venom Mambalgin-1 T23A Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:I101 b:28.4 occ:0.52 N A:LEU1 3.4 13.1 1.0 O A:HOH276 4.0 38.7 1.0 CG A:LYS2 4.1 22.7 1.0 CA A:LEU1 4.1 13.7 1.0 C A:LEU1 4.2 11.6 1.0 CE A:LYS2 4.3 40.1 1.0 O A:LEU1 4.4 13.7 1.0 N A:LYS2 4.6 10.7 1.0 CD A:LYS2 4.7 30.3 1.0 OD1 A:ASP53 4.8 17.0 1.0 CG2 A:THR11 4.9 18.7 1.0

Iodine binding site 2 out of 5 in the Crystal Structure of Dendroaspis Polylepis Venom Mambalgin-1 T23A Mutant


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 Dendroaspis Polylepis Venom Mambalgin-1 T23A Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:I102 b:36.5 occ:0.54 CE A:LYS31 3.9 34.4 1.0 CG A:MET25 4.0 15.4 0.6 CE A:MET25 4.0 20.1 0.6 SD A:MET25 4.0 25.8 0.6 CB A:ALA23 4.1 13.8 1.0 C A:GLY24 4.2 14.1 1.0 N A:GLY24 4.2 13.9 1.0 CA A:GLY24 4.2 18.1 1.0 CG A:MET25 4.2 14.8 0.4 C A:ALA23 4.3 18.1 1.0 N A:MET25 4.4 13.6 0.4 N A:MET25 4.4 13.5 0.6 O A:ALA23 4.4 15.7 1.0 CG A:LYS31 4.5 16.4 1.0 O A:GLY24 4.5 12.7 1.0 CD A:LYS31 4.7 27.0 1.0 CB A:MET25 4.7 17.0 0.6 CB A:MET25 4.7 17.0 0.4 O A:HOH264 4.7 39.6 1.0 NZ A:LYS31 4.7 48.5 1.0 CA A:ALA23 4.8 15.8 1.0

Iodine binding site 3 out of 5 in the Crystal Structure of Dendroaspis Polylepis Venom Mambalgin-1 T23A Mutant


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 Dendroaspis Polylepis Venom Mambalgin-1 T23A Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:I103 b:16.6 occ:0.45 OG A:SER39 3.8 27.6 1.0 N A:SER39 3.8 10.1 1.0 CA A:SER38 4.0 10.2 0.6 CA A:SER38 4.1 10.3 0.4 CB A:SER38 4.3 12.2 0.6 C A:SER38 4.4 9.9 0.6 OG A:SER38 4.4 12.4 0.4 C A:SER38 4.4 9.9 0.4 CB A:SER39 4.6 14.8 1.0 CB A:SER38 4.7 13.0 0.4 CE A:MET16 4.7 8.7 0.4 CA A:SER39 4.8 8.4 1.0 SD A:MET16 4.9 15.8 0.6 O A:CYS37 4.9 12.9 1.0

Iodine binding site 4 out of 5 in the Crystal Structure of Dendroaspis Polylepis Venom Mambalgin-1 T23A Mutant


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 Dendroaspis Polylepis Venom Mambalgin-1 T23A Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:I104 b:24.1 occ:0.71 O A:HOH274 3.5 19.7 1.0 OG1 A:THR44 3.6 28.1 1.0 CB A:THR44 4.4 22.1 1.0 O A:HOH201 4.9 16.0 1.0

Iodine binding site 5 out of 5 in the Crystal Structure of Dendroaspis Polylepis Venom Mambalgin-1 T23A Mutant


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 Dendroaspis Polylepis Venom Mambalgin-1 T23A Mutant within 5.0Å range: probe atom residue distance (Å) B Occ B:I101 b:40.2 occ:0.47 CE B:MET25 3.6 18.1 0.4 CG B:MET25 3.7 29.1 0.6 CG B:MET25 3.7 29.0 0.4 CA B:GLY24 3.9 20.9 1.0 O B:HOH236 3.9 50.5 1.0 N B:GLY24 3.9 17.4 1.0 C B:GLY24 4.0 17.6 1.0 SD B:MET25 4.0 30.5 0.6 C B:ALA23 4.1 20.8 1.0 CE B:LYS31 4.1 29.8 1.0 SD B:MET25 4.1 30.0 0.4 CB B:ALA23 4.2 20.0 1.0 O B:ALA23 4.3 20.7 1.0 O B:GLY24 4.3 16.0 1.0 N B:MET25 4.4 16.7 0.4 N B:MET25 4.5 16.6 0.6 CG B:LYS31 4.7 17.6 1.0 CD B:LYS31 4.7 22.2 1.0 CA B:ALA23 4.8 17.2 1.0 NZ B:LYS31 4.8 40.3 1.0 O B:HOH250 4.8 37.6 1.0 CB B:MET25 5.0 21.2 0.6 CB B:MET25 5.0 21.2 0.4

G.Mourier, M.Salinas, P.Kessler, E.A.Stura, M.Leblanc, L.Tepshi, T.Besson, S.Diochot, A.Baron, D.Douguet, E.Lingueglia, D.Servent. Mambalgin-1 Pain-Relieving Peptide, Stepwise Solid-Phase Synthesis, Crystal Structure, and Functional Domain For Acid-Sensing Ion Channel 1A Inhibition. J.Biol.Chem. V. 291 2616 2016.
ISSN: ESSN 1083-351X
PubMed: 26680001
DOI: 10.1074/JBC.M115.702373