Iodine in PDB 4cjd: Crystal Structure of Neisseria Meningitidis Trimeric Autotransporter and Vaccine Antigen Nada

The structure of Crystal Structure of Neisseria Meningitidis Trimeric Autotransporter and Vaccine Antigen Nada, PDB code: 4cjd was solved by E.Malito, M.Biancucci, G.Spraggon, M.J.Bottomley, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.162 / 2.06
Space group	H 3 2
Cell size a, b, c (Å), α, β, γ (°)	51.227, 51.227, 577.942, 90.00, 90.00, 120.00
R / Rfree (%)	18.18 / 20.71

The binding sites of Iodine atom in the Crystal Structure of Neisseria Meningitidis Trimeric Autotransporter and Vaccine Antigen Nada (pdb code 4cjd). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 4 binding sites of Iodine where determined in the Crystal Structure of Neisseria Meningitidis Trimeric Autotransporter and Vaccine Antigen Nada, PDB code: 4cjd:
Jump to Iodine binding site number: 1; 2; 3; 4;

Iodine binding site 1 out of 4 in the Crystal Structure of Neisseria Meningitidis Trimeric Autotransporter and Vaccine Antigen Nada


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 Neisseria Meningitidis Trimeric Autotransporter and Vaccine Antigen Nada within 5.0Å range: probe atom residue distance (Å) B Occ A:I1001 b:34.1 occ:1.00 ND2 A:ASN44 3.1 15.5 1.0 CB A:ASN44 3.8 14.6 1.0 CG A:ASN44 3.9 21.7 1.0 CA A:VAL41 4.0 22.6 1.0 CG2 A:VAL41 4.0 21.8 1.0 CB A:VAL41 4.5 21.1 1.0 O A:VAL41 4.7 19.2 1.0 N A:VAL41 4.7 18.3 1.0 O A:GLY40 4.8 16.9 1.0 CG1 A:VAL41 4.8 25.3 1.0 C A:VAL41 4.9 19.6 1.0

Iodine binding site 2 out of 4 in the Crystal Structure of Neisseria Meningitidis Trimeric Autotransporter and Vaccine Antigen Nada


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 Neisseria Meningitidis Trimeric Autotransporter and Vaccine Antigen Nada within 5.0Å range: probe atom residue distance (Å) B Occ A:I1002 b:18.0 occ:1.00 ND2 A:ASN106 3.6 21.8 1.0 CB A:ASN106 3.9 23.5 1.0 CG A:ASN106 4.2 24.9 1.0 CG2 A:VAL103 4.3 18.0 1.0 CG1 A:VAL103 4.3 19.9 1.0 CA A:VAL103 4.4 25.0 1.0 CB A:VAL103 4.6 19.0 1.0 O A:VAL103 4.9 24.9 1.0

Iodine binding site 3 out of 4 in the Crystal Structure of Neisseria Meningitidis Trimeric Autotransporter and Vaccine Antigen Nada


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 Neisseria Meningitidis Trimeric Autotransporter and Vaccine Antigen Nada within 5.0Å range: probe atom residue distance (Å) B Occ A:I1003 b:64.5 occ:1.00 ND2 A:ASN127 3.8 0.2 1.0 CB A:ASN127 4.2 100.0 1.0 CG2 A:VAL124 4.3 83.5 1.0 CA A:VAL124 4.4 87.6 1.0 CG A:ASN127 4.5 0.2 1.0 CB A:VAL124 4.6 86.4 1.0 O A:VAL124 4.9 95.1 1.0

Iodine binding site 4 out of 4 in the Crystal Structure of Neisseria Meningitidis Trimeric Autotransporter and Vaccine Antigen Nada


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 Neisseria Meningitidis Trimeric Autotransporter and Vaccine Antigen Nada within 5.0Å range: probe atom residue distance (Å) B Occ A:I1004 b:83.8 occ:1.00 CG1 A:ILE131 4.1 0.8 1.0 ND2 A:ASN134 4.4 96.9 1.0 CA A:ILE131 4.4 97.6 1.0 CB A:ASN134 4.5 96.2 1.0 CB A:ILE131 4.6 97.5 1.0 CG2 A:ILE131 4.7 96.8 1.0

E.Malito, M.Biancucci, A.Faleri, I.Ferlenghi, M.Scarselli, G.Maruggi, P.Lo Surdo, D.Veggi, A.Liguori, L.Santini, I.Bertoldi, R.Petracca, S.Marchi, G.Romagnoli, E.Cartocci, I.Vercellino, S.Savino, G.Spraggon, N.Norais, M.Pizza, R.Rappuoli, V.Masignani, M.J.Bottomley. Structure of the Meningococcal Vaccine Antigen Nada and Epitope Mapping of A Bactericidal Antibody. Proc.Natl.Acad.Sci.Usa 2014.
ISSN: ESSN 1091-6490
PubMed: 25404323
DOI: 10.1073/PNAS.1419686111