Bromine in PDB 3f59: Crystal Structure of ZU5-Ank, the Spectrin Binding Region of Human Erythroid Ankyrin

The structure of Crystal Structure of ZU5-Ank, the Spectrin Binding Region of Human Erythroid Ankyrin, PDB code: 3f59 was solved by J.J.Ipsaro, L.Huang, A.Mondragon, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	36.91 / 2.00
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	38.040, 204.110, 43.070, 90.00, 113.14, 90.00
R / Rfree (%)	21.6 / 26.4

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 18;

Binding sites:

The binding sites of Bromine atom in the Crystal Structure of ZU5-Ank, the Spectrin Binding Region of Human Erythroid Ankyrin (pdb code 3f59). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 18 binding sites of Bromine where determined in the Crystal Structure of ZU5-Ank, the Spectrin Binding Region of Human Erythroid Ankyrin, PDB code: 3f59:
Jump to Bromine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Bromine binding site 1 out of 18 in the Crystal Structure of ZU5-Ank, the Spectrin Binding Region of Human Erythroid Ankyrin


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Crystal Structure of ZU5-Ank, the Spectrin Binding Region of Human Erythroid Ankyrin within 5.0Å range: probe atom residue distance (Å) B Occ A:Br2 b:34.0 occ:0.50 O A:HOH41 3.3 18.3 1.0 O A:HOH1070 3.4 16.7 1.0 N A:GLY933 3.5 20.1 1.0 CB A:ARG927 3.7 22.0 1.0 ND1 A:HIS931 3.7 29.0 1.0 N A:ASN932 3.8 20.2 1.0 CA A:HIS931 3.8 20.7 1.0 CD A:ARG927 3.8 30.1 1.0 C A:HIS931 3.8 20.6 1.0 CG A:ARG927 3.9 26.7 1.0 NH1 A:ARG927 4.0 37.4 1.0 CA A:GLY933 4.1 20.1 1.0 O A:LEU934 4.1 13.0 1.0 CE1 A:HIS931 4.3 30.1 1.0 CG A:HIS931 4.4 26.4 1.0 C A:GLY933 4.4 19.5 1.0 O A:HIS931 4.5 20.5 1.0 C A:ASN932 4.5 20.3 1.0 N A:LEU934 4.5 18.5 1.0 CA A:ASN932 4.6 20.2 1.0 CA A:ARG927 4.7 19.6 1.0 CB A:HIS931 4.7 23.3 1.0 O A:HOH59 4.8 39.2 1.0 N A:HIS931 4.8 19.6 1.0 NE A:ARG927 4.8 33.2 1.0 O A:GLY928 4.8 15.1 1.0 CZ A:ARG927 4.9 35.6 1.0 C A:LEU934 5.0 15.6 1.0

Bromine binding site 2 out of 18 in the Crystal Structure of ZU5-Ank, the Spectrin Binding Region of Human Erythroid Ankyrin


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Crystal Structure of ZU5-Ank, the Spectrin Binding Region of Human Erythroid Ankyrin within 5.0Å range: probe atom residue distance (Å) B Occ A:Br3 b:27.4 occ:0.50 OG A:SER1022 3.5 35.1 1.0 CD2 A:TYR1024 3.6 28.1 1.0 O A:ILE1055 3.6 18.8 1.0 CA A:THR1056 3.8 18.0 1.0 CG2 A:ILE1055 3.9 15.5 1.0 N A:THR1057 3.9 19.1 1.0 CG2 A:THR1057 3.9 15.9 1.0 C A:ILE1055 4.0 18.5 1.0 C A:THR1056 4.0 19.0 1.0 N A:THR1056 4.0 18.7 1.0 CG A:PRO988 4.1 17.6 1.0 CB A:PRO988 4.1 15.7 1.0 CA A:SER1022 4.2 34.5 1.0 CB A:SER1022 4.2 34.8 1.0 N A:ARG1023 4.2 36.3 1.0 O A:HOH6 4.2 21.2 1.0 CE2 A:TYR1024 4.3 28.0 1.0 N A:TYR1024 4.5 34.5 1.0 CG A:TYR1024 4.6 29.0 1.0 C A:SER1022 4.6 35.2 1.0 CB A:TYR1024 4.6 31.7 1.0 CB A:ILE1055 4.7 17.0 1.0 CB A:THR1057 4.8 19.1 1.0 OG1 A:THR1057 4.8 17.9 1.0 O A:THR1056 4.8 19.5 1.0 CA A:THR1057 4.9 19.2 1.0 CA A:ILE1055 5.0 16.9 1.0

Bromine binding site 3 out of 18 in the Crystal Structure of ZU5-Ank, the Spectrin Binding Region of Human Erythroid Ankyrin


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of Crystal Structure of ZU5-Ank, the Spectrin Binding Region of Human Erythroid Ankyrin within 5.0Å range: probe atom residue distance (Å) B Occ A:Br4 b:48.2 occ:0.75 O A:HOH1070 3.2 16.7 1.0 N A:ARG930 3.3 18.8 1.0 CA A:GLY928 3.3 16.4 1.0 C A:GLY928 3.4 15.8 1.0 CB A:ARG930 3.5 21.4 1.0 N A:SER929 3.6 16.2 1.0 CD1 A:LEU914 3.7 22.6 1.0 CB A:LEU934 3.7 18.0 1.0 CD2 A:LEU934 3.8 18.1 1.0 CA A:ARG930 3.8 20.4 1.0 O A:GLY928 3.9 15.1 1.0 OD1 A:ASN932 3.9 19.1 1.0 CG A:ARG930 4.0 23.8 1.0 CB A:LEU914 4.1 19.5 1.0 N A:HIS931 4.1 19.6 1.0 C A:ARG930 4.3 20.0 1.0 CG A:LEU914 4.3 21.1 1.0 C A:SER929 4.3 17.4 1.0 N A:GLY928 4.4 16.5 1.0 CG A:LEU934 4.4 20.0 1.0 CD A:ARG930 4.5 26.7 1.0 CD2 A:LEU914 4.5 22.7 1.0 CA A:SER929 4.5 17.3 1.0 O A:LEU934 4.8 13.0 1.0 CG A:ASN932 4.8 18.8 1.0 CA A:LEU934 4.8 17.4 1.0 OG A:SER929 4.9 18.1 1.0 N A:LEU934 4.9 18.5 1.0

Bromine binding site 4 out of 18 in the Crystal Structure of ZU5-Ank, the Spectrin Binding Region of Human Erythroid Ankyrin


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 4 of Crystal Structure of ZU5-Ank, the Spectrin Binding Region of Human Erythroid Ankyrin within 5.0Å range:

Bromine binding site 5 out of 18 in the Crystal Structure of ZU5-Ank, the Spectrin Binding Region of Human Erythroid Ankyrin


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 5 of Crystal Structure of ZU5-Ank, the Spectrin Binding Region of Human Erythroid Ankyrin within 5.0Å range: probe atom residue distance (Å) B Occ A:Br16 b:49.7 occ:0.75 CD2 A:LEU986 4.1 22.9 1.0

Bromine binding site 6 out of 18 in the Crystal Structure of ZU5-Ank, the Spectrin Binding Region of Human Erythroid Ankyrin


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 6 of Crystal Structure of ZU5-Ank, the Spectrin Binding Region of Human Erythroid Ankyrin within 5.0Å range: probe atom residue distance (Å) B Occ A:Br18 b:67.8 occ:0.50 N A:TRP1017 3.3 14.6 1.0 CG A:PRO964 3.5 20.8 1.0 CD A:PRO964 3.6 21.3 1.0 CD1 A:TRP1017 3.8 15.6 1.0 CA A:VAL1016 3.8 14.9 1.0 O A:SER1015 4.0 16.9 1.0 C A:VAL1016 4.1 14.2 1.0 CB A:TRP1017 4.1 14.9 1.0 CA A:TRP1017 4.2 15.3 1.0 CG1 A:VAL1016 4.3 15.0 1.0 CG A:TRP1017 4.4 15.5 1.0 O A:TRP1017 4.4 13.4 1.0 CB A:VAL1016 4.7 15.5 1.0 CG2 A:THR961 4.8 23.4 1.0 C A:SER1015 4.8 16.5 1.0 N A:VAL1016 4.8 15.0 1.0 CB A:PRO964 4.8 21.7 1.0 C A:TRP1017 4.8 15.3 1.0 NE1 A:TRP1017 5.0 15.8 1.0

Bromine binding site 7 out of 18 in the Crystal Structure of ZU5-Ank, the Spectrin Binding Region of Human Erythroid Ankyrin


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 7 of Crystal Structure of ZU5-Ank, the Spectrin Binding Region of Human Erythroid Ankyrin within 5.0Å range: probe atom residue distance (Å) B Occ B:Br8 b:29.0 occ:0.50 OG B:SER1022 3.4 29.7 1.0 O B:ILE1055 3.6 18.4 1.0 O B:HOH156 3.7 26.0 1.0 CG2 B:THR1057 3.7 16.8 1.0 CD2 B:TYR1024 3.8 26.5 1.0 CA B:THR1056 3.8 16.6 1.0 N B:THR1057 3.9 17.5 1.0 C B:ILE1055 4.0 17.2 1.0 C B:THR1056 4.0 17.6 1.0 N B:THR1056 4.0 16.6 1.0 CB B:SER1022 4.0 32.6 1.0 CA B:SER1022 4.0 32.7 1.0 CG2 B:ILE1055 4.1 14.7 1.0 CG B:PRO988 4.2 17.7 1.0 N B:ARG1023 4.2 35.7 1.0 CB B:PRO988 4.3 16.1 1.0 CE2 B:TYR1024 4.5 26.6 1.0 N B:TYR1024 4.5 33.6 1.0 C B:SER1022 4.6 34.1 1.0 CB B:THR1057 4.7 17.5 1.0 O B:THR1056 4.7 18.5 1.0 CG B:TYR1024 4.7 27.8 1.0 CB B:TYR1024 4.8 31.8 1.0 CA B:THR1057 4.8 18.8 1.0 OG1 B:THR1057 4.8 16.9 1.0 CB B:ILE1055 4.9 16.5 1.0

Bromine binding site 8 out of 18 in the Crystal Structure of ZU5-Ank, the Spectrin Binding Region of Human Erythroid Ankyrin


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 8 of Crystal Structure of ZU5-Ank, the Spectrin Binding Region of Human Erythroid Ankyrin within 5.0Å range: probe atom residue distance (Å) B Occ B:Br12 b:36.2 occ:0.50 O D:HOH126 3.0 21.3 1.0 O D:HOH144 3.2 23.6 1.0 BR D:BR13 3.3 40.5 0.5 ND2 B:ASN932 3.3 19.5 1.0 NH1 B:ARG930 3.4 30.6 1.0 CD1 B:LEU953 4.0 28.5 1.0 CG B:ASN932 4.2 17.4 1.0 CD B:ARG930 4.2 26.6 1.0 OD1 B:ASN932 4.3 19.1 1.0 CZ B:ARG930 4.5 31.0 1.0 NH2 D:ARG1068 4.7 53.7 1.0 CG B:PRO994 4.7 21.3 1.0 NE B:ARG930 4.8 28.6 1.0

Bromine binding site 9 out of 18 in the Crystal Structure of ZU5-Ank, the Spectrin Binding Region of Human Erythroid Ankyrin


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 9 of Crystal Structure of ZU5-Ank, the Spectrin Binding Region of Human Erythroid Ankyrin within 5.0Å range: probe atom residue distance (Å) B Occ B:Br17 b:44.0 occ:0.50 O B:HOH152 3.0 22.0 1.0 CA B:GLY928 3.3 15.8 1.0 C B:GLY928 3.3 14.3 1.0 N B:ARG930 3.4 19.2 1.0 N B:SER929 3.5 15.5 1.0 CB B:ARG930 3.7 21.2 1.0 CB B:LEU934 3.7 19.6 1.0 CG B:ARG930 3.7 24.1 1.0 CD1 B:LEU914 3.8 20.9 1.0 CD2 B:LEU934 3.8 19.1 1.0 O B:GLY928 3.9 14.1 1.0 CB B:LEU914 3.9 18.2 1.0 OD1 B:ASN932 3.9 19.1 1.0 CD2 B:LEU914 4.0 20.9 1.0 CA B:ARG930 4.0 20.9 1.0 CG B:LEU914 4.1 17.8 1.0 N B:GLY928 4.3 17.0 1.0 CG B:LEU934 4.4 19.8 1.0 C B:SER929 4.4 18.0 1.0 CA B:SER929 4.5 17.2 1.0 N B:HIS931 4.6 20.3 1.0 CD B:ARG930 4.6 26.6 1.0 C B:ARG930 4.6 20.7 1.0 OG B:SER929 4.8 17.3 1.0 CG B:ASN932 4.8 17.4 1.0 CA B:LEU934 4.9 18.6 1.0 O B:LEU934 5.0 16.9 1.0

Bromine binding site 10 out of 18 in the Crystal Structure of ZU5-Ank, the Spectrin Binding Region of Human Erythroid Ankyrin


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 10 of Crystal Structure of ZU5-Ank, the Spectrin Binding Region of Human Erythroid Ankyrin within 5.0Å range: probe atom residue distance (Å) B Occ C:Br1 b:23.0 occ:0.50 O C:HOH124 3.0 34.4 1.0 CA C:GLY928 3.5 22.4 1.0 N C:LEU934 3.6 26.9 1.0 N C:ARG930 3.7 29.1 1.0 CB C:ARG930 3.7 33.9 1.0 CD C:ARG930 3.7 41.1 1.0 C C:GLY928 3.7 22.2 1.0 CG C:ARG930 3.7 38.3 1.0 N C:SER929 3.9 23.5 1.0 CA C:GLY933 4.1 31.0 1.0 CB C:LEU934 4.1 26.6 1.0 CD2 C:LEU914 4.1 19.5 1.0 CA C:ARG930 4.2 31.8 1.0 O C:GLY928 4.3 21.8 1.0 C C:GLY933 4.4 29.3 1.0 N C:GLY928 4.4 22.3 1.0 O C:ARG930 4.5 28.9 1.0 CA C:LEU934 4.5 26.5 1.0 O C:HOH33 4.7 29.4 1.0 C C:SER929 4.7 26.9 1.0 CD1 C:LEU914 4.7 17.7 1.0 C C:ARG930 4.8 31.6 1.0 CG C:LEU914 4.8 20.2 1.0 CA C:SER929 4.9 24.6 1.0 O C:HOH94 4.9 23.5 1.0 CB C:LEU914 5.0 19.1 1.0 O C:LEU934 5.0 24.8 1.0

J.J.Ipsaro, L.Huang, A.Mondragon. Structures of the Spectrin-Ankyrin Interaction Binding Domains. Blood V. 113 5385 2009.
ISSN: ISSN 0006-4971
PubMed: 19141864
DOI: 10.1182/BLOOD-2008-10-184358