Chlorine in PDB 3arj: Cl- Binding Hemoglobin Component V Form Propsilocerus Akamusi Under 500 Mm Nacl at pH 4.6

The structure of Cl- Binding Hemoglobin Component V Form Propsilocerus Akamusi Under 500 Mm Nacl at pH 4.6, PDB code: 3arj 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)	37.53 / 1.81
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	65.310, 75.060, 33.470, 90.00, 90.00, 90.00
R / Rfree (%)	18.5 / 20.9

The structure of Cl- Binding Hemoglobin Component V Form Propsilocerus Akamusi Under 500 Mm Nacl at pH 4.6 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 4.6 (pdb code 3arj). 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 4.6, PDB code: 3arj:
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 4.6


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 4.6 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl154 b:24.2 occ:1.00 FE A:HEM153 2.4 15.0 1.0 ND A:HEM153 2.9 18.1 1.0 NA A:HEM153 3.0 13.8 1.0 NC A:HEM153 3.2 13.0 1.0 NE A:ARG69 3.2 25.3 1.0 NB A:HEM153 3.3 13.1 1.0 CG1 A:ILE70 3.3 17.7 1.0 NH2 A:ARG69 3.5 25.1 1.0 CD1 A:ILE70 3.5 17.6 1.0 CE2 A:PHE46 3.6 13.8 1.0 C1D A:HEM153 3.6 18.2 1.0 C4A A:HEM153 3.7 17.5 1.0 C1A A:HEM153 3.7 19.6 1.0 C4D A:HEM153 3.7 21.3 1.0 C4C A:HEM153 3.8 12.9 1.0 CZ A:ARG69 3.8 26.9 1.0 C1B A:HEM153 3.9 14.3 1.0 CHD A:HEM153 3.9 15.2 1.0 CG2 A:ILE66 3.9 16.5 1.0 C1C A:HEM153 4.0 11.2 1.0 CHA A:HEM153 4.1 20.7 1.0 CHB A:HEM153 4.1 12.4 1.0 C4B A:HEM153 4.1 13.3 1.0 CZ A:PHE46 4.2 13.7 1.0 CD A:ARG69 4.4 24.3 1.0 CHC A:HEM153 4.4 13.7 1.0 CG A:ARG69 4.4 22.8 1.0 O A:ILE66 4.5 17.1 1.0 NE2 A:HIS98 4.5 14.7 1.0 C2A A:HEM153 4.7 21.2 1.0 C2D A:HEM153 4.7 21.0 1.0 C3A A:HEM153 4.7 17.1 1.0 CD2 A:PHE46 4.7 15.0 1.0 C3D A:HEM153 4.7 23.9 1.0 C3C A:HEM153 4.8 10.6 1.0 CB A:ILE70 4.8 14.6 1.0 C2C A:HEM153 4.9 11.6 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 4.6


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 4.6 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl155 b:22.3 occ:1.00 OG A:SER41 3.1 16.1 1.0 O A:HOH224 3.3 37.0 1.0 N A:SER41 3.3 14.6 1.0 C A:TYR39 3.4 11.4 1.0 N A:PRO40 3.5 14.0 1.0 CA A:TYR39 3.5 11.2 1.0 CB A:SER41 3.5 15.9 1.0 CD A:PRO40 3.6 14.1 1.0 CB A:TYR39 3.9 8.8 1.0 O A:TYR39 4.0 10.6 1.0 CA A:SER41 4.0 13.1 1.0 CG A:PRO40 4.3 17.6 1.0 C A:PRO40 4.3 15.8 1.0 CA A:PRO40 4.4 15.6 1.0 O A:HOH330 4.5 17.8 1.0 O A:HOH285 4.6 35.4 1.0 CD1 A:TYR39 4.6 9.9 1.0 O A:HOH438 4.7 30.9 1.0 CG A:TYR39 4.8 9.3 1.0 N A:TYR39 4.8 11.7 1.0 ND2 A:ASN42 4.8 10.1 1.0 O A:LYS38 4.9 13.2 1.0 N A:ASN42 5.0 12.1 1.0 CB A:PRO40 5.0 15.1 1.0 C A:SER41 5.0 12.7 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 4.6


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 4.6 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl156 b:21.1 occ:1.00 N A:LEU54 3.2 12.8 1.0 O A:HOH307 3.4 19.4 1.0 CA A:PRO53 3.7 13.0 1.0 C A:PRO53 3.9 13.0 1.0 CB A:LEU54 4.0 11.9 1.0 CA A:LEU54 4.2 12.4 1.0 CB A:PRO53 4.3 13.4 1.0 O A:HOH369 4.3 23.4 1.0 O A:HOH357 4.4 15.8 1.0 O A:HIS52 4.8 15.0 1.0 NE2 A:GLN43 4.9 10.6 1.0 N A:PRO53 4.9 14.1 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 4.6


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 4.6 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl157 b:19.8 occ:1.00 ND2 A:ASN83 3.2 26.4 1.0 CB A:ASN83 3.8 17.7 1.0 CG A:ASN83 4.0 18.4 1.0 O A:GLY82 4.0 15.4 1.0 CA A:ASN83 4.5 14.2 1.0 C A:GLY82 4.5 14.6 1.0 N A:ASN83 4.7 13.1 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 4.6


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 4.6 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl158 b:22.9 occ:1.00 O A:HOH419 2.9 19.6 1.0 N A:ASP122 3.2 11.5 1.0 CG A:ASP122 3.5 13.7 1.0 ND1 A:HIS125 3.6 13.5 1.0 OD1 A:ASP122 3.6 13.6 1.0 CG A:HIS125 3.7 13.1 1.0 CA A:LEU121 3.8 11.2 1.0 CB A:HIS125 3.8 11.8 1.0 OD2 A:ASP122 3.8 14.9 1.0 C A:LEU121 4.0 10.7 1.0 CD2 A:LEU121 4.0 10.7 1.0 CB A:ASP122 4.0 12.5 1.0 CA A:ASP122 4.2 11.1 1.0 CE1 A:HIS125 4.2 13.9 1.0 CB A:LEU121 4.3 9.0 1.0 CD2 A:HIS125 4.5 11.7 1.0 O A:HIS120 4.6 16.3 1.0 O A:HOH427 4.7 18.1 1.0 O A:HOH161 4.7 37.4 1.0 NE2 A:HIS125 4.7 14.0 1.0 CG A:LEU121 4.8 8.9 1.0 O A:HOH163 4.8 35.2 1.0 O A:ASP122 4.9 10.2 1.0 N A:LEU121 4.9 12.6 1.0 C A:ASP122 5.0 13.1 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