Chlorine in PDB 3arl: Cl- Binding Hemoglobin Component V Form Propsilocerus Akamusi Under 500 Mm Nacl at pH 5.5

The structure of Cl- Binding Hemoglobin Component V Form Propsilocerus Akamusi Under 500 Mm Nacl at pH 5.5, PDB code: 3arl was solved by T.Kuwada, T.Hasegawa, T.Takagi, F.Shishikura, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	33.47 / 1.81
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	65.330, 75.150, 33.470, 90.00, 90.00, 90.00
R / Rfree (%)	18.8 / 26.2

The structure of Cl- Binding Hemoglobin Component V Form Propsilocerus Akamusi Under 500 Mm Nacl at pH 5.5 also contains other interesting chemical elements:

Iron

(Fe)

1 atom

The binding sites of Chlorine atom in the Cl- Binding Hemoglobin Component V Form Propsilocerus Akamusi Under 500 Mm Nacl at pH 5.5 (pdb code 3arl). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the Cl- Binding Hemoglobin Component V Form Propsilocerus Akamusi Under 500 Mm Nacl at pH 5.5, PDB code: 3arl:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in the Cl- Binding Hemoglobin Component V Form Propsilocerus Akamusi Under 500 Mm Nacl at pH 5.5


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Cl- Binding Hemoglobin Component V Form Propsilocerus Akamusi Under 500 Mm Nacl at pH 5.5 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl154 b:20.7 occ:1.00 FE A:HEM153 2.5 14.2 1.0 ND A:HEM153 2.9 16.4 1.0 NA A:HEM153 3.1 13.4 1.0 NE A:ARG69 3.2 21.4 1.0 NC A:HEM153 3.2 11.7 1.0 NB A:HEM153 3.3 10.4 1.0 CG1 A:ILE70 3.3 10.0 1.0 NH2 A:ARG69 3.4 22.0 1.0 CE1 A:PHE46 3.6 10.2 1.0 CD1 A:ILE70 3.6 10.8 1.0 C1D A:HEM153 3.6 16.7 1.0 CZ A:ARG69 3.7 23.2 1.0 C4C A:HEM153 3.7 13.1 1.0 C4D A:HEM153 3.7 18.4 1.0 C1A A:HEM153 3.8 16.9 1.0 C4A A:HEM153 3.8 14.9 1.0 CHD A:HEM153 3.9 15.4 1.0 CG2 A:ILE66 3.9 13.4 1.0 C1C A:HEM153 4.0 10.6 1.0 C1B A:HEM153 4.0 12.3 1.0 CHA A:HEM153 4.1 17.4 1.0 C4B A:HEM153 4.2 11.3 1.0 CHB A:HEM153 4.2 11.7 1.0 CZ A:PHE46 4.2 11.3 1.0 CD A:ARG69 4.3 20.5 1.0 CG A:ARG69 4.3 17.5 1.0 CHC A:HEM153 4.5 10.0 1.0 O A:ILE66 4.6 12.4 1.0 NE2 A:HIS98 4.6 12.2 1.0 CD1 A:PHE46 4.6 11.8 1.0 C2D A:HEM153 4.7 19.8 1.0 C3C A:HEM153 4.7 10.4 1.0 C2A A:HEM153 4.7 18.3 1.0 C3D A:HEM153 4.8 20.8 1.0 C3A A:HEM153 4.8 15.0 1.0 CB A:ILE70 4.8 9.5 1.0 C2C A:HEM153 4.9 11.2 1.0

Chlorine binding site 2 out of 5 in the Cl- Binding Hemoglobin Component V Form Propsilocerus Akamusi Under 500 Mm Nacl at pH 5.5


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Cl- Binding Hemoglobin Component V Form Propsilocerus Akamusi Under 500 Mm Nacl at pH 5.5 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl155 b:21.6 occ:1.00 OG A:SER41 3.0 14.4 1.0 N A:SER41 3.3 10.7 1.0 O A:HOH441 3.4 35.8 1.0 C A:TYR39 3.4 8.5 1.0 CB A:SER41 3.4 13.7 1.0 CA A:TYR39 3.5 7.9 1.0 N A:PRO40 3.5 12.2 1.0 CD A:PRO40 3.6 14.4 1.0 CB A:TYR39 3.9 6.5 1.0 O A:TYR39 4.0 6.9 1.0 CA A:SER41 4.0 10.4 1.0 C A:PRO40 4.3 13.1 1.0 O A:HOH320 4.3 14.5 1.0 CA A:PRO40 4.4 13.2 1.0 CG A:PRO40 4.5 15.4 1.0 CD1 A:TYR39 4.6 6.8 1.0 O A:HOH378 4.7 29.3 1.0 ND2 A:ASN42 4.8 7.0 1.0 CG A:TYR39 4.8 7.9 1.0 N A:TYR39 4.8 8.1 1.0 N A:ASN42 5.0 8.2 1.0 O A:LYS38 5.0 9.6 1.0 C A:SER41 5.0 8.9 1.0

Chlorine binding site 3 out of 5 in the Cl- Binding Hemoglobin Component V Form Propsilocerus Akamusi Under 500 Mm Nacl at pH 5.5


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Cl- Binding Hemoglobin Component V Form Propsilocerus Akamusi Under 500 Mm Nacl at pH 5.5 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl156 b:16.1 occ:1.00 N A:LEU54 3.2 11.0 1.0 O A:HOH309 3.4 18.7 1.0 CA A:PRO53 3.7 11.0 1.0 C A:PRO53 3.9 10.6 1.0 CB A:LEU54 4.0 10.2 1.0 CA A:LEU54 4.2 10.7 1.0 CB A:PRO53 4.3 8.9 1.0 O A:HOH316 4.4 13.8 1.0 O A:HOH357 4.4 19.1 1.0 O A:HOH433 4.6 24.5 1.0 O A:HIS52 4.8 13.0 1.0 N A:PRO53 4.9 12.1 1.0 NE2 A:GLN43 4.9 8.9 1.0

Chlorine binding site 4 out of 5 in the Cl- Binding Hemoglobin Component V Form Propsilocerus Akamusi Under 500 Mm Nacl at pH 5.5


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Cl- Binding Hemoglobin Component V Form Propsilocerus Akamusi Under 500 Mm Nacl at pH 5.5 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl157 b:17.1 occ:1.00 ND2 A:ASN83 3.1 21.8 1.0 CB A:ASN83 3.8 16.4 1.0 CG A:ASN83 3.9 17.7 1.0 O A:GLY82 4.1 10.0 1.0 CA A:ASN83 4.5 10.5 1.0 C A:GLY82 4.5 10.2 1.0 N A:ASN83 4.7 9.9 1.0

Chlorine binding site 5 out of 5 in the Cl- Binding Hemoglobin Component V Form Propsilocerus Akamusi Under 500 Mm Nacl at pH 5.5


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Cl- Binding Hemoglobin Component V Form Propsilocerus Akamusi Under 500 Mm Nacl at pH 5.5 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl158 b:21.5 occ:1.00 O A:HOH373 2.8 16.2 1.0 N A:ASP122 3.2 9.1 1.0 O A:HOH240 3.2 34.7 1.0 ND1 A:HIS125 3.5 10.3 1.0 CG A:ASP122 3.5 11.4 1.0 OD2 A:ASP122 3.6 10.4 1.0 CG A:HIS125 3.7 10.0 1.0 CA A:LEU121 3.8 8.8 1.0 CB A:HIS125 3.8 8.9 1.0 OD1 A:ASP122 3.8 10.4 1.0 C A:LEU121 4.0 9.0 1.0 CB A:ASP122 4.0 8.9 1.0 CD2 A:LEU121 4.1 6.4 1.0 CA A:ASP122 4.1 7.8 1.0 CE1 A:HIS125 4.2 10.4 1.0 CB A:LEU121 4.3 6.5 1.0 CD2 A:HIS125 4.5 9.4 1.0 O A:HOH213 4.6 33.0 1.0 O A:HIS120 4.6 12.6 1.0 NE2 A:HIS125 4.7 10.9 1.0 O A:HOH416 4.8 14.0 1.0 CG A:LEU121 4.8 5.4 1.0 O A:ASP122 4.9 7.5 1.0 N A:LEU121 4.9 9.9 1.0 C A:ASP122 5.0 9.5 1.0 O A:HOH454 5.0 33.3 1.0

T.Kuwada, T.Hasegawa, T.Takagi, T.Sakae, I.Sato, F.Shishikura. Involvement of the Distal Arg Residue in Cl- Binding of Midge Larval Haemoglobin Acta Crystallogr.,Sect.D V. 67 488 2011.
ISSN: ISSN 0907-4449
PubMed: 21543852
DOI: 10.1107/S0907444911010808