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Chlorine in PDB 2d5x: Crystal Structure of Carbonmonoxy Horse Hemoglobin Complexed with L35

Protein crystallography data

The structure of Crystal Structure of Carbonmonoxy Horse Hemoglobin Complexed with L35, PDB code: 2d5x was solved by T.Yokoyama, S.Neya, A.Tsuneshige, T.Yonetani, S.Y.Park, J.R.Tame, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.88 / 1.45
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 62.337, 107.442, 87.016, 90.00, 90.00, 90.00
R / Rfree (%) 19 / 21.6

Other elements in 2d5x:

The structure of Crystal Structure of Carbonmonoxy Horse Hemoglobin Complexed with L35 also contains other interesting chemical elements:

Iron (Fe) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Carbonmonoxy Horse Hemoglobin Complexed with L35 (pdb code 2d5x). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of Carbonmonoxy Horse Hemoglobin Complexed with L35, PDB code: 2d5x:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 2d5x

Go back to Chlorine Binding Sites List in 2d5x
Chlorine binding site 1 out of 4 in the Crystal Structure of Carbonmonoxy Horse Hemoglobin Complexed with L35


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 Carbonmonoxy Horse Hemoglobin Complexed with L35 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1200

b:30.7
occ:1.00
CL1 A:L351200 0.0 30.7 1.0
C5 A:L351200 1.8 26.4 1.0
C4 A:L351200 2.7 26.2 1.0
C6 A:L351200 2.8 25.4 1.0
O A:HOH1305 3.0 35.2 1.0
O A:LYS61 3.8 14.0 1.0
CA A:LYS61 3.9 13.6 1.0
CB A:ASP64 4.0 14.2 1.0
C3 A:L351200 4.0 26.9 1.0
CB A:LYS61 4.1 14.3 1.0
C1 A:L351200 4.1 24.6 1.0
CMA A:HEM142 4.3 16.0 1.0
CG A:LYS61 4.3 15.3 1.0
C A:LYS61 4.3 13.7 1.0
C2 A:L351200 4.6 25.4 1.0
OD2 A:ASP64 4.6 20.9 1.0
CG A:ASP64 4.8 16.8 1.0
N A:ALA65 4.8 11.2 1.0

Chlorine binding site 2 out of 4 in 2d5x

Go back to Chlorine Binding Sites List in 2d5x
Chlorine binding site 2 out of 4 in the Crystal Structure of Carbonmonoxy Horse Hemoglobin Complexed with L35


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 Carbonmonoxy Horse Hemoglobin Complexed with L35 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1200

b:28.9
occ:1.00
CL2 A:L351200 0.0 28.9 1.0
C3 A:L351200 1.8 26.9 1.0
C2 A:L351200 2.8 25.4 1.0
C4 A:L351200 2.8 26.2 1.0
CD2 A:LEU68 3.6 22.1 1.0
CB A:ALA65 3.9 11.6 1.0
C1 A:L351200 4.1 24.6 1.0
C5 A:L351200 4.1 26.4 1.0
CD2 A:LEU83 4.1 19.5 1.0
O A:HOH1222 4.1 20.0 1.0
CA A:ALA65 4.2 11.2 1.0
CD2 A:LEU80 4.3 19.8 1.0
O A:HOH1263 4.4 27.1 1.0
O A:HOH1244 4.5 24.1 1.0
O A:ALA79 4.6 19.0 1.0
C6 A:L351200 4.6 25.4 1.0
CB A:LEU83 4.8 17.9 1.0
CG A:LEU68 4.8 17.5 1.0
CG A:LEU83 4.9 19.8 1.0
CB A:LEU68 4.9 14.1 1.0
O1 A:L351200 5.0 27.8 1.0

Chlorine binding site 3 out of 4 in 2d5x

Go back to Chlorine Binding Sites List in 2d5x
Chlorine binding site 3 out of 4 in the Crystal Structure of Carbonmonoxy Horse Hemoglobin Complexed with L35


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 Carbonmonoxy Horse Hemoglobin Complexed with L35 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1201

b:44.1
occ:1.00
CL1 B:L351201 0.0 44.1 1.0
C5 B:L351201 1.8 44.7 1.0
C4 B:L351201 2.7 44.9 1.0
C6 B:L351201 2.8 44.6 1.0
ND2 B:ASN108 2.8 22.6 1.0
CD2 A:LEU100 3.6 12.3 1.0
CB A:HIS103 3.7 8.7 1.0
CG A:HIS103 3.8 8.4 1.0
CG B:ASN108 3.8 14.3 1.0
CZ A:PHE36 3.8 13.8 1.0
CD2 A:HIS103 3.8 8.5 1.0
C3 B:L351201 4.0 45.3 1.0
C1 B:L351201 4.1 44.9 1.0
OD1 B:ASN108 4.2 15.3 1.0
CE1 A:PHE36 4.2 14.2 1.0
O A:LYS99 4.3 10.3 1.0
CA A:LEU100 4.3 9.4 1.0
ND1 A:HIS103 4.5 8.9 1.0
C2 B:L351201 4.6 45.1 1.0
CE2 A:PHE36 4.6 13.8 1.0
NE2 A:HIS103 4.6 10.1 1.0
C A:LYS99 4.7 10.0 1.0
N A:LEU100 4.7 9.6 1.0
O B:HOH1256 4.8 27.8 1.0
CG A:LEU100 4.8 9.5 1.0
CB B:ASN108 4.9 10.7 1.0
O A:HOH1229 5.0 21.7 1.0

Chlorine binding site 4 out of 4 in 2d5x

Go back to Chlorine Binding Sites List in 2d5x
Chlorine binding site 4 out of 4 in the Crystal Structure of Carbonmonoxy Horse Hemoglobin Complexed with L35


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 Carbonmonoxy Horse Hemoglobin Complexed with L35 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1201

b:45.6
occ:1.00
CL2 B:L351201 0.0 45.6 1.0
C3 B:L351201 1.8 45.3 1.0
C4 B:L351201 2.8 44.9 1.0
C2 B:L351201 2.8 45.1 1.0
C5 B:L351201 4.1 44.7 1.0
C1 B:L351201 4.1 44.9 1.0
OE2 B:GLU101 4.2 25.3 1.0
CD A:LYS99 4.2 18.0 1.0
CG1 A:VAL96 4.5 17.1 1.0
C6 B:L351201 4.6 44.6 1.0
CB A:LYS99 4.8 11.0 1.0
O1 B:L351201 5.0 44.8 1.0

Reference:

T.Yokoyama, S.Neya, A.Tsuneshige, T.Yonetani, S.Y.Park, J.R.Tame. R-State Haemoglobin with Low Oxygen Affinity: Crystal Structures of Deoxy Human and Carbonmonoxy Horse Haemoglobin Bound to the Effector Molecule L35 J.Mol.Biol. V. 356 790 2006.
ISSN: ISSN 0022-2836
PubMed: 16403522
DOI: 10.1016/J.JMB.2005.12.018
Page generated: Thu Jul 10 21:48:49 2025

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