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Chlorine in PDB 6jjq: Crystal Structure of Peptidyl-Trna Hydrolase From Acinetobacter Baumannii at 0.99 A Resolution.

Enzymatic activity of Crystal Structure of Peptidyl-Trna Hydrolase From Acinetobacter Baumannii at 0.99 A Resolution.

All present enzymatic activity of Crystal Structure of Peptidyl-Trna Hydrolase From Acinetobacter Baumannii at 0.99 A Resolution.:
3.1.1.29;

Protein crystallography data

The structure of Crystal Structure of Peptidyl-Trna Hydrolase From Acinetobacter Baumannii at 0.99 A Resolution., PDB code: 6jjq was solved by V.Viswanathan, H.R.Bairagya, P.Sharma, S.Sharma, T.P.Singh, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 49.83 / 0.99
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 34.139, 65.976, 76.011, 90.00, 90.00, 90.00
R / Rfree (%) 13 / 13.9

Other elements in 6jjq:

The structure of Crystal Structure of Peptidyl-Trna Hydrolase From Acinetobacter Baumannii at 0.99 A Resolution. also contains other interesting chemical elements:

Sodium (Na) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Peptidyl-Trna Hydrolase From Acinetobacter Baumannii at 0.99 A Resolution. (pdb code 6jjq). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of Peptidyl-Trna Hydrolase From Acinetobacter Baumannii at 0.99 A Resolution., PDB code: 6jjq:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 6jjq

Go back to Chlorine Binding Sites List in 6jjq
Chlorine binding site 1 out of 3 in the Crystal Structure of Peptidyl-Trna Hydrolase From Acinetobacter Baumannii at 0.99 A Resolution.


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 Peptidyl-Trna Hydrolase From Acinetobacter Baumannii at 0.99 A Resolution. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl202

b:19.8
occ:0.80
 HH11 A:ARG133 2.3 14.5 1.0
HB2 A:LYS107 3.0 10.8 1.0
NH1 A:ARG133 3.0 25.2 1.0
HD2 A:ARG105 3.0 39.3 1.0
O A:HOH347 3.1 27.9 1.0
HD3 A:ARG133 3.2 14.2 1.0
HB3 A:ARG105 3.2 12.7 1.0
HD2 A:LYS107 3.2 15.6 1.0
O A:HOH480 3.2 42.6 1.0
HH12 A:ARG133 3.2 14.5 1.0
HD3 A:ARG105 3.5 39.3 1.0
HB2 A:ARG105 3.6 12.7 1.0
CD A:ARG105 3.7 32.5 1.0
CB A:ARG105 3.8 13.2 1.0
HH11 A:ARG105 3.8 40.3 1.0
CB A:LYS107 3.9 10.9 1.0
HD2 A:ARG133 4.0 14.2 1.0
CD A:ARG133 4.0 11.3 1.0
HG3 A:LYS107 4.0 13.9 1.0
CD A:LYS107 4.1 16.1 1.0
CZ A:ARG133 4.1 15.7 1.0
CG A:LYS107 4.2 14.7 1.0
HA A:LYS107 4.3 7.3 0.5
CG A:ARG105 4.4 18.2 1.0
HD21 A:ASN188 4.5 17.5 1.0
NE A:ARG133 4.5 12.4 1.0
HB3 A:LYS107 4.5 10.8 1.0
O A:LEU106 4.6 12.0 1.0
O A:HOH375 4.6 35.4 1.0
CA A:LYS107 4.6 5.2 0.5
HD3 A:LYS107 4.6 15.6 1.0
NH1 A:ARG105 4.7 71.4 1.0
HE3 A:LYS107 4.9 18.7 1.0
C A:LEU106 4.9 8.6 1.0
N A:LYS107 4.9 8.2 1.0
NE A:ARG105 4.9 52.1 1.0

Chlorine binding site 2 out of 3 in 6jjq

Go back to Chlorine Binding Sites List in 6jjq
Chlorine binding site 2 out of 3 in the Crystal Structure of Peptidyl-Trna Hydrolase From Acinetobacter Baumannii at 0.99 A Resolution.


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 Peptidyl-Trna Hydrolase From Acinetobacter Baumannii at 0.99 A Resolution. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl203

b:14.6
occ:0.90
 HD21 A:ASN12 2.5 10.7 1.0
HD2 A:HIS22 2.8 10.7 1.0
HB3 A:MET69 2.9 10.2 1.0
O A:HOH389 3.2 18.1 1.0
O A:HOH486 3.3 37.3 1.0
HD22 A:LEU150 3.3 15.6 1.0
OD1 A:ASN116 3.4 19.2 1.0
ND2 A:ASN12 3.4 11.1 1.0
CD2 A:HIS22 3.4 10.5 1.0
HD21 A:ASN116 3.5 10.8 1.0
O A:HOH477 3.5 54.6 1.0
NE2 A:HIS22 3.7 11.8 1.0
CB A:MET69 3.7 9.9 1.0
HB2 A:MET69 3.8 10.2 1.0
HD22 A:ASN12 3.9 10.7 1.0
HG2 A:MET69 3.9 10.3 1.0
HD12 A:LEU150 4.0 17.1 1.0
ND2 A:ASN116 4.1 11.9 1.0
CG A:ASN116 4.2 12.9 1.0
OD1 A:ASN12 4.2 10.9 1.0
CD2 A:LEU150 4.2 15.9 1.0
CG A:ASN12 4.3 10.3 1.0
H A:MET69 4.3 10.5 1.0
CG A:MET69 4.4 9.3 1.0
H A:ASN70 4.5 10.5 1.0
HD23 A:LEU150 4.6 15.6 1.0
HD21 A:LEU150 4.7 15.6 1.0
CG A:HIS22 4.7 9.1 1.0
HG3 A:MET69 4.7 10.3 1.0
CD1 A:LEU150 4.9 18.7 1.0
CA A:MET69 4.9 9.3 1.0
HB3 A:ASN70 4.9 17.3 1.0
HG A:LEU150 4.9 13.9 1.0
N A:MET69 4.9 10.3 1.0
HD22 A:ASN116 4.9 10.8 1.0
CE1 A:HIS22 5.0 10.9 1.0
HG23 A:VAL149 5.0 14.2 1.0

Chlorine binding site 3 out of 3 in 6jjq

Go back to Chlorine Binding Sites List in 6jjq
Chlorine binding site 3 out of 3 in the Crystal Structure of Peptidyl-Trna Hydrolase From Acinetobacter Baumannii at 0.99 A Resolution.


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 Peptidyl-Trna Hydrolase From Acinetobacter Baumannii at 0.99 A Resolution. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl204

b:13.9
occ:0.60
 O A:HOH458 1.4 11.9 0.4
HE2 A:HIS94 2.2 9.9 1.0
HH11 A:ARG131 2.2 8.9 1.0
O A:HOH466 2.5 11.7 0.4
HG2 A:ARG131 2.7 8.1 1.0
HD3 A:ARG131 2.9 8.7 1.0
NE2 A:HIS94 2.9 8.7 1.0
O A:HOH386 3.0 12.8 0.6
NH1 A:ARG131 3.1 9.3 1.0
HG2 A:ARG133 3.1 11.4 1.0
HB2 A:ARG131 3.2 8.8 1.0
HB3 A:ARG131 3.2 8.8 1.0
CG A:ARG131 3.3 7.7 1.0
HD2 A:ARG133 3.3 14.2 1.0
HD12 A:LEU118 3.4 10.5 1.0
CB A:ARG131 3.4 7.6 1.0
HD13 A:LEU118 3.4 10.5 1.0
HE1 A:HIS94 3.5 9.8 1.0
HH12 A:ARG131 3.5 8.9 1.0
HD3 A:LYS107 3.5 15.6 1.0
CD A:ARG131 3.5 7.8 1.0
CE1 A:HIS94 3.6 8.3 1.0
CD1 A:LEU118 3.8 10.5 1.0
CG A:ARG133 3.8 8.8 1.0
O A:HOH463 3.8 16.3 0.5
HE A:ARG133 3.8 14.3 1.0
CD A:ARG133 3.9 11.3 1.0
HG3 A:ARG133 4.0 11.4 1.0
CD2 A:HIS94 4.1 7.9 1.0
CZ A:ARG131 4.1 8.7 1.0
NE A:ARG133 4.1 12.4 1.0
HD11 A:LEU118 4.1 10.5 1.0
HB3 A:LYS107 4.2 10.8 1.0
HG3 A:ARG131 4.2 8.1 1.0
NE A:ARG131 4.2 8.1 1.0
HD2 A:ARG131 4.3 8.7 1.0
O A:GLY111 4.3 13.8 1.0
HD2 A:HIS94 4.3 9.8 1.0
CD A:LYS107 4.5 16.1 1.0
HZ3 A:LYS107 4.6 20.5 1.0
OE1 A:GLU96 4.6 12.6 1.0
ND1 A:HIS94 4.8 8.1 1.0
HD3 A:ARG133 4.8 14.2 1.0
HD2 A:LYS107 4.8 15.6 1.0
O A:HOH441 4.9 15.9 0.6
CZ A:ARG133 4.9 15.7 1.0
HG2 A:LYS107 4.9 13.9 1.0
CB A:LYS107 4.9 10.9 1.0
CA A:ARG131 4.9 6.6 1.0
HD22 A:LEU118 5.0 9.9 1.0

Reference:

V.Viswanathan, H.R.Bairagya, P.Sharma, S.Sharma, T.P.Singh. Crystal Structure of Peptidyl-Trna Hydrolase From Acinetobacter Baumannii at 0.99 A Resolution. To Be Published.
Page generated: Sun Jul 28 02:08:45 2024

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