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Iodine in PDB 7mzp: Crystal Structure of the Ucld Lectin-Binding Domain

Protein crystallography data

The structure of Crystal Structure of the Ucld Lectin-Binding Domain, PDB code: 7mzp was solved by T.Ve, A.W.Lo, M.A.Schembri, B.Kobe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 43.85 / 2.20
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 39.04, 58.12, 175.42, 90, 90, 90
R / Rfree (%) 24.8 / 30.6

Iodine Binding Sites:

The binding sites of Iodine atom in the Crystal Structure of the Ucld Lectin-Binding Domain (pdb code 7mzp). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 6 binding sites of Iodine where determined in the Crystal Structure of the Ucld Lectin-Binding Domain, PDB code: 7mzp:
Jump to Iodine binding site number: 1; 2; 3; 4; 5; 6;

Iodine binding site 1 out of 6 in 7mzp

Go back to Iodine Binding Sites List in 7mzp
Iodine binding site 1 out of 6 in the Crystal Structure of the Ucld Lectin-Binding Domain


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 the Ucld Lectin-Binding Domain within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I301

b:22.0
occ:1.00
HB3 A:TRP123 3.0 26.8 1.0
HD2 A:PRO124 3.3 29.1 1.0
HB3 A:ALA125 3.4 30.4 1.0
H A:ALA125 3.5 26.1 1.0
HB2 A:ALA125 3.6 30.4 1.0
CB A:ALA125 3.9 25.0 1.0
CB A:TRP123 4.0 22.1 1.0
HG2 A:PRO124 4.0 29.1 1.0
CD A:PRO124 4.2 23.9 1.0
HB2 A:TRP123 4.2 26.8 1.0
N A:ALA125 4.3 21.5 1.0
HE3 A:TRP123 4.4 26.8 1.0
CG A:TRP123 4.6 19.6 1.0
CG A:PRO124 4.6 23.9 1.0
HB1 A:ALA125 4.7 30.4 1.0
N A:PRO124 4.7 21.6 1.0
CA A:ALA125 4.8 21.4 1.0
CE3 A:TRP123 4.8 22.0 1.0
CD2 A:TRP123 4.9 19.5 1.0
HD3 A:PRO124 4.9 29.1 1.0
C A:TRP123 4.9 23.9 1.0
CA A:TRP123 5.0 23.1 1.0

Iodine binding site 2 out of 6 in 7mzp

Go back to Iodine Binding Sites List in 7mzp
Iodine binding site 2 out of 6 in the Crystal Structure of the Ucld Lectin-Binding Domain


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 the Ucld Lectin-Binding Domain within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I302

b:25.2
occ:1.00
H A:LEU73 2.8 23.4 1.0
HB3 A:LYS191 3.1 25.7 1.0
HH11 A:ARG192 3.1 27.1 1.0
HB3 A:ARG192 3.2 27.2 1.0
H A:ARG192 3.3 19.4 1.0
HA A:ALA72 3.3 22.0 1.0
HG2 A:ARG192 3.4 27.2 1.0
HG A:LEU73 3.4 25.6 1.0
N A:LEU73 3.7 19.2 1.0
NH1 A:ARG192 3.7 22.3 1.0
HH12 A:ARG192 3.8 27.1 1.0
HB1 A:ALA72 3.8 29.8 1.0
N A:ARG192 3.9 17.0 1.0
HB2 A:LEU73 3.9 23.7 1.0
CB A:ARG192 4.0 22.3 1.0
CB A:LYS191 4.1 21.1 1.0
CG A:ARG192 4.1 22.3 1.0
CA A:ALA72 4.1 18.0 1.0
CG A:LEU73 4.2 21.0 1.0
CB A:ALA72 4.3 24.5 1.0
H A:LYS191 4.3 24.3 1.0
C A:ALA72 4.4 19.1 1.0
CB A:LEU73 4.4 19.5 1.0
HD3 A:ARG192 4.4 26.1 1.0
HG3 A:LYS191 4.5 28.6 1.0
HB2 A:ALA72 4.5 29.8 1.0
CA A:ARG192 4.5 22.1 1.0
HB2 A:LYS191 4.5 25.7 1.0
CA A:LEU73 4.6 17.4 1.0
HG2 A:LYS191 4.6 28.6 1.0
CG A:LYS191 4.7 23.5 1.0
HD12 A:LEU73 4.7 25.2 1.0
C A:LYS191 4.7 21.8 1.0
CZ A:ARG192 4.7 23.7 1.0
CD A:ARG192 4.7 21.4 1.0
HB2 A:ARG192 4.7 27.2 1.0
CA A:LYS191 4.8 20.2 1.0
N A:LYS191 4.8 19.9 1.0
O A:LEU73 4.8 19.4 1.0
HB1 A:ALA190 4.8 21.6 1.0
HA A:ARG192 4.8 26.9 1.0
HG3 A:ARG192 4.8 27.2 1.0

Iodine binding site 3 out of 6 in 7mzp

Go back to Iodine Binding Sites List in 7mzp
Iodine binding site 3 out of 6 in the Crystal Structure of the Ucld Lectin-Binding Domain


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 the Ucld Lectin-Binding Domain within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I303

b:56.3
occ:1.00
O A:HOH422 3.1 17.4 1.0
HG21 A:THR149 3.4 29.1 1.0
HA3 A:GLY142 3.6 32.5 1.0
HG23 A:THR149 4.1 29.1 1.0
CG2 A:THR149 4.2 24.0 1.0
H A:GLY142 4.5 28.6 1.0
CA A:GLY142 4.5 26.8 1.0
HG22 A:THR149 4.6 29.1 1.0
HB2 A:PRO140 4.6 28.1 1.0
HG1 A:THR149 4.7 33.0 1.0
HA2 A:GLY142 4.9 32.5 1.0
O A:HOH456 4.9 23.3 1.0
N A:GLY142 5.0 23.5 1.0

Iodine binding site 4 out of 6 in 7mzp

Go back to Iodine Binding Sites List in 7mzp
Iodine binding site 4 out of 6 in the Crystal Structure of the Ucld Lectin-Binding Domain


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 the Ucld Lectin-Binding Domain within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I304

b:48.8
occ:1.00
HA A:PRO22 3.1 31.3 1.0
HB2 A:ALA70 3.3 29.7 1.0
O A:HOH461 3.6 29.0 1.0
HG3 A:PRO22 3.6 32.3 1.0
N A:PRO22 3.7 24.1 1.0
CA A:PRO22 3.8 25.8 1.0
C A:GLY21 3.8 25.4 1.0
O A:GLY21 3.9 29.8 1.0
HB3 A:PRO22 4.1 33.0 1.0
CG A:PRO22 4.2 26.6 1.0
HD3 A:PRO22 4.2 28.8 1.0
CB A:ALA70 4.2 24.4 1.0
HA2 A:GLY21 4.3 29.2 1.0
CB A:PRO22 4.3 27.2 1.0
CD A:PRO22 4.3 23.6 1.0
CA A:GLY21 4.5 24.0 1.0
HB3 A:ALA70 4.7 29.7 1.0
HB1 A:ALA70 4.7 29.7 1.0
H A:ALA70 4.7 27.9 1.0
N A:GLY21 4.8 21.7 1.0
HA A:ALA70 4.8 26.6 1.0
N A:ALA70 4.8 23.0 1.0
CA A:ALA70 4.9 21.9 1.0

Iodine binding site 5 out of 6 in 7mzp

Go back to Iodine Binding Sites List in 7mzp
Iodine binding site 5 out of 6 in the Crystal Structure of the Ucld Lectin-Binding Domain


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 the Ucld Lectin-Binding Domain within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I305

b:72.9
occ:1.00
HA A:ILE30 2.9 28.4 1.0
H A:ALA31 3.0 28.6 1.0
HB2 A:ASN62 3.7 32.2 1.0
N A:ALA31 3.7 23.6 1.0
HG13 A:ILE30 3.8 28.9 1.0
O A:GLN29 3.8 25.5 1.0
CA A:ILE30 3.9 23.3 1.0
HB3 A:ALA31 4.2 31.8 1.0
C A:ILE30 4.3 24.4 1.0
HD22 A:ASN62 4.4 22.5 1.0
O A:ALA31 4.4 21.6 1.0
HB A:THR60 4.4 28.3 1.0
HG3 A:GLN29 4.5 26.8 1.0
C A:GLN29 4.6 26.4 1.0
CB A:ASN62 4.6 26.6 1.0
CG1 A:ILE30 4.7 23.8 1.0
N A:ILE30 4.7 19.6 1.0
CA A:ALA31 4.7 26.6 1.0
CB A:ILE30 4.8 23.2 1.0
CB A:ALA31 4.8 26.2 1.0
ND2 A:ASN62 4.8 18.5 1.0
HB A:ILE30 4.8 28.2 1.0
HB2 A:ALA31 4.8 31.8 1.0
O A:SER61 4.9 22.3 1.0
HG21 A:THR60 4.9 33.0 1.0
O A:HOH460 5.0 31.8 1.0
HB3 A:ASN62 5.0 32.2 1.0

Iodine binding site 6 out of 6 in 7mzp

Go back to Iodine Binding Sites List in 7mzp
Iodine binding site 6 out of 6 in the Crystal Structure of the Ucld Lectin-Binding Domain


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 6 of Crystal Structure of the Ucld Lectin-Binding Domain within 5.0Å range:
probe atom residue distance (Å) B Occ
B:I301

b:45.4
occ:1.00
HZ2 A:LYS84 2.8 49.1 1.0
H B:ALA31 2.9 29.8 1.0
HA B:ILE30 2.9 30.5 1.0
HG13 B:ILE30 3.4 27.4 1.0
HB2 B:ASN62 3.5 26.1 1.0
NZ A:LYS84 3.6 40.6 1.0
N B:ALA31 3.6 24.5 1.0
HZ3 A:LYS84 3.8 49.1 1.0
CA B:ILE30 3.9 25.1 1.0
HD3 A:LYS84 3.9 39.5 1.0
HB B:THR60 4.0 28.9 1.0
O B:GLN29 4.0 30.5 1.0
O B:ALA31 4.2 21.8 1.0
HE2 A:LYS84 4.2 40.8 1.0
HZ1 A:LYS84 4.2 49.1 1.0
HB3 B:ALA31 4.3 26.9 1.0
C B:ILE30 4.3 25.4 1.0
CG1 B:ILE30 4.3 22.6 1.0
HD22 B:ASN62 4.3 28.4 1.0
CE A:LYS84 4.4 33.7 1.0
CB B:ASN62 4.4 21.4 1.0
HG12 B:ILE30 4.6 27.4 1.0
CB B:ILE30 4.6 22.4 1.0
HG21 B:THR60 4.6 31.0 1.0
CD A:LYS84 4.6 32.6 1.0
HG1 B:THR60 4.6 32.4 1.0
CA B:ALA31 4.7 26.2 1.0
ND2 B:ASN62 4.7 23.3 1.0
C B:GLN29 4.7 25.0 1.0
HB B:ILE30 4.8 27.2 1.0
N B:ILE30 4.8 25.8 1.0
HG3 B:GLN29 4.8 31.4 1.0
O B:SER61 4.8 25.7 1.0
CB B:THR60 4.8 23.8 1.0
CG B:ASN62 4.8 23.6 1.0
C B:ALA31 4.9 24.6 1.0
CB B:ALA31 4.9 22.1 1.0
HB3 B:ASN62 4.9 26.1 1.0

Reference:

S.Hancock, A.W.Lo, T.Ve, C.J.Day, L.Tan, A.Mendez, M.Phan, N.Nhu, K.M.Peters, A.Richards, B.A.Fleming, B.M.Forde, T.Haselhorst, K.G.K.Goh, X.Jia, M.Mobli, S.A.Beatson, M.P.Jennings, M.A.Mulvey, B.Kobe, M.A.Schembri. Regulatory and Binding Specificity Features of Escherichia Coli Ucl Fimbriae To Be Published.
Page generated: Mon Aug 12 01:46:25 2024

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