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Chlorine in PDB 6na3: Crystal Structure of Apo-Form of Ecr

Protein crystallography data

The structure of Crystal Structure of Apo-Form of Ecr, PDB code: 6na3 was solved by H.Demirci, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 16.97 / 1.80
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 78.100, 153.000, 202.700, 90.00, 90.00, 90.00
R / Rfree (%) 19.9 / 24.2

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Apo-Form of Ecr (pdb code 6na3). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the Crystal Structure of Apo-Form of Ecr, PDB code: 6na3:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in 6na3

Go back to Chlorine Binding Sites List in 6na3
Chlorine binding site 1 out of 5 in the Crystal Structure of Apo-Form of Ecr


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 Apo-Form of Ecr within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl503

b:50.4
occ:1.00
 NE2 A:HIS110 3.2 39.4 1.0
NH2 A:ARG166 3.3 45.7 1.0
O A:HOH754 3.4 49.0 1.0
NH2 A:ARG109 3.4 38.4 1.0
NH1 A:ARG166 3.5 45.8 1.0
CD2 A:HIS110 3.5 39.6 1.0
O A:LEU106 3.7 44.8 1.0
CA A:THR107 3.7 42.9 1.0
CZ A:ARG166 3.8 45.1 1.0
C A:LEU106 4.0 45.5 1.0
CG2 A:THR107 4.1 43.2 1.0
N A:THR107 4.1 44.1 1.0
CB A:THR107 4.3 42.7 1.0
O A:HOH674 4.3 52.0 0.9
CE1 A:HIS110 4.4 37.9 1.0
CZ A:ARG109 4.6 36.0 1.0
OE1 A:GLU68 4.7 35.4 1.0
CG A:HIS110 4.7 40.8 1.0
NE A:ARG109 4.8 33.7 1.0
CB A:LEU106 4.8 43.1 1.0
C A:THR107 4.8 42.5 1.0
CE2 A:TYR100 4.9 51.2 1.0
O A:THR107 5.0 42.4 1.0

Chlorine binding site 2 out of 5 in 6na3

Go back to Chlorine Binding Sites List in 6na3
Chlorine binding site 2 out of 5 in the Crystal Structure of Apo-Form of Ecr


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 Apo-Form of Ecr within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl504

b:69.1
occ:1.00
 O A:HOH803 2.2 55.1 1.0
O A:TYR328 3.1 45.0 1.0
O A:HOH602 3.6 47.6 0.5
O A:HOH790 3.7 53.8 1.0
O A:THR330 4.0 38.8 1.0
OD2 A:ASP310 4.0 48.9 1.0
CA A:VAL329 4.1 42.8 1.0
O A:VAL329 4.1 44.0 1.0
C A:VAL329 4.2 42.3 1.0
C A:TYR328 4.2 45.3 1.0
CG A:ASP310 4.2 48.4 1.0
OD1 A:ASP310 4.5 49.1 1.0
NZ A:LYS359 4.5 38.2 1.0
CE2 A:TYR328 4.5 51.5 1.0
CZ A:TYR328 4.6 52.9 1.0
N A:VAL329 4.7 43.8 1.0
CD2 A:TYR328 4.8 47.0 1.0
C A:THR330 4.8 38.7 1.0
N A:THR330 4.8 40.1 1.0
CB A:ASP310 4.9 43.5 1.0
OH A:TYR328 5.0 58.3 1.0

Chlorine binding site 3 out of 5 in 6na3

Go back to Chlorine Binding Sites List in 6na3
Chlorine binding site 3 out of 5 in the Crystal Structure of Apo-Form of Ecr


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 Apo-Form of Ecr within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl504

b:50.2
occ:1.00
 NE2 B:HIS110 3.3 36.6 1.0
NH2 B:ARG166 3.3 45.0 1.0
NH2 B:ARG109 3.4 37.0 1.0
O B:HOH790 3.4 47.3 1.0
NH1 B:ARG166 3.5 46.0 1.0
CD2 B:HIS110 3.5 37.4 1.0
O B:LEU106 3.7 36.3 1.0
CZ B:ARG166 3.8 45.4 1.0
CA B:THR107 3.9 40.3 1.0
C B:LEU106 3.9 37.6 1.0
CG2 B:THR107 4.1 43.5 1.0
N B:THR107 4.1 39.2 1.0
CZ B:ARG109 4.5 36.7 1.0
CB B:THR107 4.5 43.1 1.0
CE1 B:HIS110 4.5 36.7 1.0
O B:HOH773 4.5 42.6 1.0
CB B:LEU106 4.6 40.6 1.0
OE1 B:GLU68 4.6 41.3 1.0
NE B:ARG109 4.7 37.5 1.0
CG B:HIS110 4.7 38.1 1.0
CA B:LEU106 4.9 40.5 1.0
CE2 B:TYR100 4.9 51.9 1.0
C B:THR107 4.9 39.8 1.0

Chlorine binding site 4 out of 5 in 6na3

Go back to Chlorine Binding Sites List in 6na3
Chlorine binding site 4 out of 5 in the Crystal Structure of Apo-Form of Ecr


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 Apo-Form of Ecr within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl502

b:60.0
occ:1.00
 NH2 C:ARG166 3.0 50.8 1.0
NE2 C:HIS110 3.2 46.2 1.0
O C:HOH775 3.2 55.2 1.0
NH1 C:ARG166 3.2 51.3 1.0
CD2 C:HIS110 3.5 47.4 1.0
NH2 C:ARG109 3.5 39.1 1.0
CZ C:ARG166 3.6 50.9 1.0
O C:LEU106 3.8 50.6 1.0
CA C:THR107 3.9 47.6 1.0
CG2 C:THR107 4.1 47.5 1.0
C C:LEU106 4.2 49.8 1.0
N C:THR107 4.2 49.3 1.0
CE1 C:HIS110 4.3 44.2 1.0
O C:HOH691 4.4 50.7 0.9
CB C:THR107 4.4 48.5 1.0
CZ C:ARG109 4.6 39.2 1.0
OE2 C:GLU68 4.7 44.5 1.0
CE2 C:TYR100 4.7 53.6 1.0
CG C:HIS110 4.7 47.2 1.0
NE C:ARG109 4.9 39.0 1.0
NE C:ARG166 4.9 48.5 1.0
CB C:LEU106 4.9 49.0 1.0

Chlorine binding site 5 out of 5 in 6na3

Go back to Chlorine Binding Sites List in 6na3
Chlorine binding site 5 out of 5 in the Crystal Structure of Apo-Form of Ecr


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of Apo-Form of Ecr within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl503

b:44.3
occ:1.00
 NH2 D:ARG166 3.2 37.9 1.0
O D:HOH673 3.3 45.4 0.8
NE2 D:HIS110 3.3 33.9 1.0
NH2 D:ARG109 3.4 33.5 1.0
NH1 D:ARG166 3.5 42.3 1.0
CD2 D:HIS110 3.6 35.2 1.0
O D:LEU106 3.8 36.4 1.0
CA D:THR107 3.8 40.2 1.0
CZ D:ARG166 3.8 41.1 1.0
C D:LEU106 4.0 37.9 1.0
N D:THR107 4.1 39.5 1.0
CG2 D:THR107 4.1 43.5 1.0
O D:HOH667 4.3 41.5 0.9
CB D:THR107 4.4 43.0 1.0
CZ D:ARG109 4.5 34.4 1.0
CE1 D:HIS110 4.5 34.2 1.0
CB D:LEU106 4.6 42.7 1.0
OE2 D:GLU68 4.7 38.0 1.0
NE D:ARG109 4.7 35.4 1.0
CG D:HIS110 4.8 35.5 1.0
CA D:LEU106 4.9 41.4 1.0
C D:THR107 4.9 39.4 1.0
CE2 D:TYR100 4.9 49.1 1.0
O D:HOH602 5.0 38.2 0.6

Reference:

H.Demirci, H.Demirci. N/A N/A.
Page generated: Sun Jul 28 20:27:44 2024

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