Chlorine in PDB 3ark: Cl- Binding Hemoglobin Component V Form Propsilocerus Akamusi Under 1 M Nacl at pH 4.6

The structure of Cl- Binding Hemoglobin Component V Form Propsilocerus Akamusi Under 1 M Nacl at pH 4.6, PDB code: 3ark 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)	33.53 / 1.81
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	65.200, 75.250, 33.530, 90.00, 90.00, 90.00
R / Rfree (%)	19.3 / 23.1

The structure of Cl- Binding Hemoglobin Component V Form Propsilocerus Akamusi Under 1 M 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 1 M Nacl at pH 4.6 (pdb code 3ark). 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 1 M Nacl at pH 4.6, PDB code: 3ark:
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 1 M 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 1 M Nacl at pH 4.6 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl154 b:21.6 occ:1.00 FE A:HEM153 2.4 14.8 1.0 ND A:HEM153 3.0 16.9 1.0 NA A:HEM153 3.1 14.1 1.0 NE A:ARG69 3.1 22.9 1.0 NC A:HEM153 3.2 13.0 1.0 NB A:HEM153 3.2 12.8 1.0 CG1 A:ILE70 3.3 14.2 1.0 NH2 A:ARG69 3.5 23.8 1.0 CD1 A:ILE70 3.5 14.1 1.0 CE1 A:PHE46 3.6 11.8 1.0 C1D A:HEM153 3.7 18.2 1.0 C4C A:HEM153 3.8 13.8 1.0 C4A A:HEM153 3.8 15.1 1.0 CZ A:ARG69 3.8 25.2 1.0 C1A A:HEM153 3.8 17.3 1.0 C4D A:HEM153 3.8 20.1 1.0 CG2 A:ILE66 3.9 16.2 1.0 C1B A:HEM153 3.9 12.9 1.0 CHD A:HEM153 4.0 16.2 1.0 C1C A:HEM153 4.0 12.6 1.0 CHB A:HEM153 4.1 12.5 1.0 C4B A:HEM153 4.1 12.2 1.0 CHA A:HEM153 4.1 18.9 1.0 CZ A:PHE46 4.2 12.4 1.0 CD A:ARG69 4.3 22.0 1.0 CG A:ARG69 4.4 19.1 1.0 CHC A:HEM153 4.4 12.4 1.0 O A:ILE66 4.5 14.2 1.0 NE2 A:HIS98 4.6 16.8 1.0 CD1 A:PHE46 4.7 13.1 1.0 C2D A:HEM153 4.7 20.7 1.0 C3A A:HEM153 4.7 16.1 1.0 C2A A:HEM153 4.7 19.2 1.0 C3C A:HEM153 4.7 11.4 1.0 CB A:ILE70 4.8 11.5 1.0 C3D A:HEM153 4.8 22.4 1.0 C2C A:HEM153 4.8 10.8 1.0

Chlorine binding site 2 out of 5 in the Cl- Binding Hemoglobin Component V Form Propsilocerus Akamusi Under 1 M 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 1 M Nacl at pH 4.6 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl155 b:26.0 occ:1.00 OG A:SER41 3.1 17.4 1.0 O A:HOH417 3.1 33.8 1.0 N A:SER41 3.3 13.4 1.0 C A:TYR39 3.4 10.9 1.0 CB A:SER41 3.4 16.2 1.0 CA A:TYR39 3.5 10.3 1.0 N A:PRO40 3.5 13.0 1.0 CD A:PRO40 3.7 17.2 1.0 CB A:TYR39 3.9 9.0 1.0 O A:TYR39 4.0 9.2 1.0 CA A:SER41 4.0 12.1 1.0 O A:HOH319 4.3 20.3 1.0 C A:PRO40 4.3 13.8 1.0 CG A:PRO40 4.3 18.9 1.0 CA A:PRO40 4.4 14.4 1.0 CD1 A:TYR39 4.6 8.4 1.0 ND2 A:ASN42 4.7 8.8 1.0 O A:HOH343 4.7 27.8 1.0 CG A:TYR39 4.8 8.4 1.0 N A:TYR39 4.9 10.4 1.0 N A:ASN42 5.0 11.0 1.0 C A:SER41 5.0 12.0 1.0

Chlorine binding site 3 out of 5 in the Cl- Binding Hemoglobin Component V Form Propsilocerus Akamusi Under 1 M 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 1 M Nacl at pH 4.6 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl156 b:17.9 occ:1.00 N A:LEU54 3.2 11.4 1.0 O A:HOH199 3.2 20.0 1.0 CA A:PRO53 3.7 11.7 1.0 C A:PRO53 4.0 11.6 1.0 CB A:LEU54 4.0 12.9 1.0 CA A:LEU54 4.2 11.7 1.0 CB A:PRO53 4.3 10.9 1.0 O A:HOH353 4.4 22.7 1.0 O A:HOH313 4.5 15.9 1.0 O A:HOH443 4.7 26.9 1.0 O A:HIS52 4.8 12.8 1.0 N A:PRO53 4.9 12.8 1.0 OE1 A:GLN43 4.9 14.0 1.0

Chlorine binding site 4 out of 5 in the Cl- Binding Hemoglobin Component V Form Propsilocerus Akamusi Under 1 M 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 1 M Nacl at pH 4.6 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl157 b:17.8 occ:1.00 ND2 A:ASN83 3.2 14.9 1.0 CB A:ASN83 3.8 17.5 1.0 CG A:ASN83 4.0 19.0 1.0 O A:GLY82 4.1 15.4 1.0 C A:GLY82 4.5 14.4 1.0 CA A:ASN83 4.5 12.5 1.0 N A:ASN83 4.8 12.1 1.0

Chlorine binding site 5 out of 5 in the Cl- Binding Hemoglobin Component V Form Propsilocerus Akamusi Under 1 M 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 1 M Nacl at pH 4.6 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl158 b:19.4 occ:1.00 O A:HOH349 3.0 22.9 1.0 O A:HOH396 3.2 28.1 1.0 N A:ASP122 3.2 10.7 1.0 O A:HOH430 3.3 36.7 1.0 ND1 A:HIS125 3.5 10.9 1.0 CG A:ASP122 3.6 13.5 1.0 OD1 A:ASP122 3.6 14.7 1.0 CG A:HIS125 3.7 11.2 1.0 CB A:HIS125 3.8 9.9 1.0 CA A:LEU121 3.8 10.8 1.0 OD2 A:ASP122 3.8 12.8 1.0 C A:LEU121 4.0 10.7 1.0 CD2 A:LEU121 4.0 8.7 1.0 CB A:ASP122 4.1 13.0 1.0 CE1 A:HIS125 4.2 14.1 1.0 CA A:ASP122 4.2 10.8 1.0 CB A:LEU121 4.3 9.0 1.0 CD2 A:HIS125 4.4 11.1 1.0 O A:HOH248 4.6 34.1 1.0 NE2 A:HIS125 4.7 12.5 1.0 O A:HIS120 4.7 14.3 1.0 O A:HOH373 4.7 17.1 1.0 CG A:LEU121 4.8 7.2 1.0 O A:HOH403 4.9 37.0 1.0 O A:ASP122 4.9 9.9 1.0 N A:LEU121 5.0 11.0 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