Chlorine in PDB 4u46: Crystal Structure of An Avidin Mutant

The structure of Crystal Structure of An Avidin Mutant, PDB code: 4u46 was solved by N.Agrawal, S.Lehtonen, N.Kahkonen, T.Riihimaki, V.P.Hytonen, M.S.Kulomaa, M.S.Johnson, T.T.Airenne, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.34 / 1.95
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	74.480, 79.800, 43.070, 90.00, 90.00, 90.00
R / Rfree (%)	18.2 / 21.4

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 12;

Binding sites:

The binding sites of Chlorine atom in the Crystal Structure of An Avidin Mutant (pdb code 4u46). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 12 binding sites of Chlorine where determined in the Crystal Structure of An Avidin Mutant, PDB code: 4u46:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 12 in the Crystal Structure of An Avidin Mutant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of An Avidin Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:41.0 occ:1.00 N A:ILE119 3.1 26.6 1.0 ND2 A:ASN118 3.3 32.7 1.0 O A:ILE119 3.5 24.4 1.0 CA A:ASN118 3.7 28.4 1.0 O A:ASN12 3.8 33.3 1.0 CB A:ASN12 3.8 29.8 1.0 C A:ASN118 3.9 29.9 1.0 CA A:ILE119 4.0 24.2 1.0 CB A:ILE119 4.2 29.0 1.0 C A:ILE119 4.2 23.5 1.0 CB A:ASN118 4.2 30.9 1.0 CG A:ASN118 4.2 34.9 1.0 CA A:ASN12 4.5 29.8 1.0 CG A:ASN12 4.5 30.1 1.0 CG A:MET14 4.5 66.7 1.0 ND2 A:ASN12 4.6 33.5 1.0 C A:ASN12 4.6 33.3 1.0 CG1 A:ILE119 4.7 31.1 1.0 O A:TYR117 4.9 20.5 1.0 N A:ASN118 4.9 24.8 1.0

Chlorine binding site 2 out of 12 in the Crystal Structure of An Avidin Mutant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of An Avidin Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl202 b:55.4 occ:1.00 O A:HOH334 2.9 52.8 1.0 N A:GLU74 3.4 21.4 1.0 O A:HOH321 3.5 23.3 1.0 OG A:SER73 3.6 22.5 1.0 CB A:GLU74 4.0 27.4 1.0 CA A:SER73 4.1 22.9 1.0 CG A:GLU74 4.2 30.3 1.0 C A:SER73 4.2 21.2 1.0 CA A:GLU74 4.2 24.2 1.0 CB A:SER73 4.3 22.4 1.0 CD A:GLU74 4.6 32.8 1.0 N A:SER75 4.9 19.6 1.0 OG A:SER75 4.9 23.4 1.0 OE1 A:GLU74 4.9 40.8 1.0

Chlorine binding site 3 out of 12 in the Crystal Structure of An Avidin Mutant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of An Avidin Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl203 b:64.6 occ:1.00 O A:HOH323 3.2 28.3 1.0 N A:GLU91 3.5 29.9 1.0 OE1 A:GLU91 3.6 45.6 1.0 CG A:LYS90 4.0 45.6 1.0 CA A:LYS90 4.0 32.5 1.0 CD A:ARG122 4.2 37.9 1.0 CB A:GLU91 4.2 33.5 1.0 CB A:LYS90 4.2 39.3 1.0 C A:LYS90 4.3 31.6 1.0 CG A:ARG122 4.4 36.5 1.0 CG A:GLU91 4.4 37.8 1.0 CA A:GLU91 4.4 30.0 1.0 CB A:ARG122 4.4 36.7 1.0 CD A:GLU91 4.5 42.2 1.0 O A:GLU91 4.7 24.7 1.0 NE A:ARG122 4.7 40.2 1.0

Chlorine binding site 4 out of 12 in the Crystal Structure of An Avidin Mutant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of An Avidin Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl204 b:72.0 occ:1.00 O A:HOH302 3.3 41.0 1.0 O A:LYS111 3.5 22.3 1.0 CG A:LYS111 4.0 36.0 1.0 CB A:SER101 4.1 25.3 1.0 OG A:SER101 4.3 27.1 1.0 C A:LYS111 4.3 25.1 1.0 CG1 A:VAL103 4.5 32.3 1.0 CA A:ALA112 4.5 21.6 1.0 CE A:LYS111 4.6 44.1 1.0 NH1 A:ARG114 4.7 45.2 1.0 N A:ALA112 4.9 20.7 1.0 CD A:LYS111 4.9 41.1 1.0 CB A:LYS111 4.9 32.5 1.0

Chlorine binding site 5 out of 12 in the Crystal Structure of An Avidin Mutant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of An Avidin Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl205 b:78.7 occ:1.00 CE1 A:PHE72 4.2 36.9 1.0 CE2 A:TRP70 4.2 24.9 1.0 NE1 A:TRP70 4.3 23.3 1.0 CD2 A:TRP70 4.4 26.7 1.0 CD1 A:TRP70 4.5 23.9 1.0 CZ A:PHE72 4.5 37.1 1.0 CD1 A:LEU99 4.6 22.0 1.0 CG A:TRP70 4.6 25.4 1.0 CZ2 A:TRP70 4.6 26.0 1.0 CD2 A:LEU99 4.7 26.7 1.0 OG A:SER73 4.9 22.5 1.0 CB A:SER73 5.0 22.4 1.0 CE3 A:TRP70 5.0 26.0 1.0

Chlorine binding site 6 out of 12 in the Crystal Structure of An Avidin Mutant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Crystal Structure of An Avidin Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl206 b:45.8 occ:1.00 O A:HOH311 3.0 25.9 1.0 N A:TYR117 3.1 19.6 1.0 CD1 A:TYR117 3.4 28.6 1.0 CA A:GLY116 3.5 18.8 1.0 O A:TYR117 3.5 20.5 1.0 CE1 A:TYR117 3.6 32.0 1.0 C A:GLY116 3.8 19.6 1.0 CG A:TYR117 3.9 25.7 1.0 CZ2 A:TRP97 3.9 17.1 1.0 CA A:TYR117 4.1 22.1 1.0 CZ A:TYR117 4.2 29.9 1.0 C A:TYR117 4.3 23.3 1.0 NE1 A:TRP97 4.4 17.8 1.0 CE2 A:TRP97 4.4 18.7 1.0 CD2 A:TYR117 4.5 28.3 1.0 CE2 A:TYR117 4.6 28.0 1.0 CB A:TYR117 4.6 24.6 1.0 N A:GLY116 4.8 17.9 1.0 CH2 A:TRP97 4.8 18.7 1.0 OH A:TYR117 4.9 34.1 1.0 O A:VAL115 4.9 20.3 1.0

Chlorine binding site 7 out of 12 in the Crystal Structure of An Avidin Mutant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Crystal Structure of An Avidin Mutant within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl201 b:34.4 occ:1.00 N B:ILE119 3.2 24.2 1.0 ND2 B:ASN118 3.3 29.2 1.0 O B:ILE119 3.5 22.2 1.0 CA B:ASN118 3.7 25.2 1.0 CB B:ASN12 3.7 36.4 1.0 O B:ASN12 3.9 39.1 1.0 C B:ASN118 4.0 25.2 1.0 CA B:ILE119 4.1 25.6 1.0 CB B:ILE119 4.2 29.8 1.0 CG B:ASN118 4.2 31.7 1.0 CB B:ASN118 4.2 28.4 1.0 C B:ILE119 4.3 22.9 1.0 CG B:ASN12 4.4 38.6 1.0 CG1 B:ILE119 4.4 34.1 1.0 CG B:MET14 4.5 63.9 1.0 CA B:ASN12 4.6 33.0 1.0 ND2 B:ASN12 4.7 46.0 1.0 C B:ASN12 4.7 36.2 1.0 O B:TYR117 4.9 19.0 1.0 N B:ASN118 4.9 23.2 1.0

Chlorine binding site 8 out of 12 in the Crystal Structure of An Avidin Mutant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Crystal Structure of An Avidin Mutant within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl202 b:45.0 occ:1.00 N B:GLU74 3.3 18.5 1.0 O B:HOH328 3.5 25.9 1.0 OG B:SER73 3.6 24.9 1.0 CB B:GLU74 3.8 21.3 1.0 CG B:GLU74 4.0 23.8 1.0 CA B:SER73 4.1 23.1 1.0 CA B:GLU74 4.1 19.6 1.0 C B:SER73 4.2 21.6 1.0 CB B:SER73 4.2 24.1 1.0 CD B:GLU74 4.4 28.9 1.0 OE1 B:GLU74 4.7 35.2 1.0 CL B:CL206 4.7 77.9 1.0 N B:SER75 4.7 18.9 1.0 OG B:SER75 4.9 23.0 1.0 C B:GLU74 4.9 19.2 1.0

Chlorine binding site 9 out of 12 in the Crystal Structure of An Avidin Mutant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Crystal Structure of An Avidin Mutant within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl203 b:80.4 occ:1.00 O B:HOH326 3.0 66.6 1.0 O B:LYS111 3.7 17.7 1.0 O B:HOH324 4.1 66.6 0.5 NH1 B:ARG114 4.3 38.0 1.0 CG B:LYS111 4.3 31.3 1.0 OG B:SER101 4.4 26.6 1.0 CB B:SER101 4.5 22.6 1.0 NH2 B:ARG114 4.6 40.8 1.0 C B:LYS111 4.6 20.1 1.0 CE B:LYS111 4.7 42.3 1.0 CD B:LYS111 4.8 37.3 1.0 CZ B:ARG114 4.8 37.1 1.0 CB B:LYS111 5.0 28.3 1.0 CA B:ALA112 5.0 18.4 1.0

Chlorine binding site 10 out of 12 in the Crystal Structure of An Avidin Mutant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Crystal Structure of An Avidin Mutant within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl204 b:72.2 occ:1.00 N B:LYS9 3.4 26.0 1.0 CA B:GLY8 3.6 28.0 1.0 NH1 B:ARG122 3.7 43.4 1.0 C B:GLY8 4.0 28.1 1.0 O B:LYS9 4.3 25.0 1.0 CD B:ARG122 4.3 38.5 1.0 CA B:LYS9 4.4 27.9 1.0 CZ B:ARG122 4.5 40.0 1.0 CB B:LYS9 4.5 31.8 1.0 NE B:ARG122 4.7 38.3 1.0 O B:THR7 4.8 28.8 1.0 C B:LYS9 4.8 26.7 1.0 N B:GLY8 4.9 27.7 1.0 CG B:LYS9 4.9 34.9 1.0

S.I.Lehtonen, A.Tullila, N.Agrawal, S.Kukkurainen, N.Kahkonen, M.Koskinen, T.K.Nevanen, M.S.Johnson, T.T.Airenne, M.S.Kulomaa, T.A.Riihimaki, V.P.Hytonen. Artificial Avidin-Based Receptors For A Panel of Small Molecules. Acs Chem.Biol. V. 11 211 2016.
ISSN: ESSN 1554-8937
PubMed: 26550684
DOI: 10.1021/ACSCHEMBIO.5B00906