Chlorine in PDB 8cip: Crystal Structure of Transketolase From Geobacillus Stearothermophilus

Enzymatic activity of Crystal Structure of Transketolase From Geobacillus Stearothermophilus

All present enzymatic activity of Crystal Structure of Transketolase From Geobacillus Stearothermophilus:
2.2.1.1;

Protein crystallography data

The structure of Crystal Structure of Transketolase From Geobacillus Stearothermophilus, PDB code: 8cip was solved by C.Leogrande, F.Rabe Von Pappenheim, K.Tittmann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 49.29 / 2.10
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 79.44, 82.71, 106.14, 80.89, 68.34, 69.99
R / Rfree (%) 16.8 / 22.8

Other elements in 8cip:

The structure of Crystal Structure of Transketolase From Geobacillus Stearothermophilus also contains other interesting chemical elements:

Magnesium (Mg) 4 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Transketolase From Geobacillus Stearothermophilus (pdb code 8cip). 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 Transketolase From Geobacillus Stearothermophilus, PDB code: 8cip:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in 8cip

Go back to Chlorine Binding Sites List in 8cip
Chlorine binding site 1 out of 5 in the Crystal Structure of Transketolase From Geobacillus Stearothermophilus


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 Transketolase From Geobacillus Stearothermophilus within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl811

b:36.5
occ:1.00
 H A:LEU326 2.6 39.4 1.0
H A:GLU325 2.6 42.8 1.0
HB3 A:GLU325 2.7 46.1 1.0
HA A:HIS323 2.8 52.3 1.0
HG A:LEU326 3.0 44.0 1.0
N A:GLU325 3.2 35.7 1.0
HB3 A:HIS323 3.3 52.3 1.0
C A:HIS323 3.4 43.5 1.0
CA A:HIS323 3.4 43.6 1.0
N A:LEU326 3.4 32.8 1.0
HD2 A:PRO324 3.5 52.7 1.0
CB A:GLU325 3.5 38.4 1.0
O A:HIS323 3.7 41.0 1.0
N A:PRO324 3.7 40.3 1.0
CA A:GLU325 3.8 37.4 1.0
CB A:HIS323 3.8 43.6 1.0
CG A:LEU326 3.9 36.6 1.0
CD A:PRO324 4.0 43.9 1.0
HB2 A:GLU325 4.0 46.1 1.0
HG2 A:PRO324 4.1 51.7 1.0
C A:GLU325 4.1 35.1 1.0
C A:PRO324 4.2 41.4 1.0
HG3 A:GLU325 4.3 47.0 1.0
HD12 A:LEU326 4.4 43.4 1.0
HB2 A:LEU326 4.4 38.6 1.0
CB A:LEU326 4.5 32.1 1.0
CG A:GLU325 4.5 39.1 1.0
ND1 A:HIS323 4.5 47.2 1.0
CA A:PRO324 4.5 42.7 1.0
CA A:LEU326 4.5 40.8 1.0
CD1 A:LEU326 4.6 36.2 1.0
CG A:PRO324 4.6 43.1 1.0
HB2 A:HIS323 4.6 52.3 1.0
HD11 A:LEU326 4.6 43.4 1.0
CG A:HIS323 4.7 48.0 1.0
HA A:GLU325 4.7 44.9 1.0
HG2 A:GLU325 4.7 47.0 1.0
N A:HIS323 4.7 49.5 1.0
HD23 A:LEU326 4.7 47.4 1.0
HD21 A:LEU326 4.8 47.4 1.0
CD2 A:LEU326 4.8 39.5 1.0
HD3 A:PRO324 4.9 52.7 1.0
H A:ALA327 4.9 42.6 1.0
O A:ALA322 5.0 52.7 1.0

Chlorine binding site 2 out of 5 in 8cip

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Chlorine binding site 2 out of 5 in the Crystal Structure of Transketolase From Geobacillus Stearothermophilus


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 Transketolase From Geobacillus Stearothermophilus within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl812

b:67.9
occ:1.00
 HA2 A:GLY106 3.2 49.3 1.0
OH A:TYR105 3.8 38.1 1.0
HH A:TYR105 4.0 45.7 1.0
HA3 A:GLY106 4.0 49.3 1.0
CA A:GLY106 4.0 41.1 1.0
CZ A:TYR105 4.1 33.9 1.0
H21 A:EDO805 4.1 61.1 1.0
H11 A:EDO805 4.3 67.1 1.0
CE1 A:TYR105 4.5 35.0 1.0
HE1 A:TYR105 4.5 42.0 1.0
CE2 A:TYR105 4.6 35.3 1.0
H A:GLY106 4.7 51.1 1.0
HE2 A:TYR105 4.7 42.3 1.0
N A:GLY106 4.8 42.5 1.0

Chlorine binding site 3 out of 5 in 8cip

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Chlorine binding site 3 out of 5 in the Crystal Structure of Transketolase From Geobacillus Stearothermophilus


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 Transketolase From Geobacillus Stearothermophilus within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl813

b:60.1
occ:1.00
 HH12 A:ARG59 2.9 36.2 1.0
HH22 A:ARG59 3.0 36.5 1.0
NH1 A:ARG59 3.7 30.2 1.0
NH2 A:ARG59 3.8 30.5 1.0
HD1 A:PHE57 3.8 36.5 1.0
O A:HOH924 3.8 34.7 1.0
HA A:ASN55 3.9 42.9 1.0
O A:HIS425 3.9 31.4 1.0
HH21 A:ARG61 4.0 45.4 1.0
OD1 A:ASN55 4.0 43.8 1.0
HB3 A:ASN55 4.1 44.9 1.0
CZ A:ARG59 4.2 35.0 1.0
O A:ASN55 4.3 35.7 1.0
HH11 A:ARG59 4.3 36.2 1.0
HA3 A:GLY426 4.4 34.4 1.0
H22 A:EDO805 4.5 61.1 1.0
HH21 A:ARG59 4.5 36.5 1.0
HE1 A:PHE57 4.5 38.0 1.0
O A:LEU424 4.5 25.8 1.0
NH2 A:ARG61 4.6 37.8 1.0
CA A:ASN55 4.6 35.7 1.0
CB A:ASN55 4.6 37.4 1.0
CD1 A:PHE57 4.6 30.4 1.0
CG A:ASN55 4.7 43.5 1.0
HA A:PHE57 4.7 40.7 1.0
HH22 A:ARG61 4.8 45.4 1.0
C A:ASN55 4.8 33.9 1.0
C A:HIS425 4.9 32.9 1.0
HE A:ARG61 5.0 45.6 1.0
CE1 A:PHE57 5.0 31.7 1.0

Chlorine binding site 4 out of 5 in 8cip

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Chlorine binding site 4 out of 5 in the Crystal Structure of Transketolase From Geobacillus Stearothermophilus


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 Transketolase From Geobacillus Stearothermophilus within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl806

b:58.4
occ:1.00
 HE2 B:HIS462 2.8 41.0 1.0
HG B:SER385 2.8 58.5 1.0
HE B:ARG521 2.9 52.6 1.0
OG B:SER385 3.2 48.8 1.0
HH21 B:ARG521 3.3 61.7 1.0
HH12 B:ARG358 3.5 49.1 1.0
NE2 B:HIS462 3.6 34.1 1.0
NE B:ARG521 3.7 43.9 1.0
HH22 B:ARG358 4.0 51.8 1.0
NH2 B:ARG521 4.0 51.4 1.0
O B:HOH917 4.0 42.6 1.0
NH1 B:ARG358 4.1 40.9 1.0
CZ B:ARG521 4.3 51.4 1.0
HE1 B:HIS462 4.4 43.1 1.0
CE1 B:HIS462 4.4 35.9 1.0
HD2 B:ARG521 4.4 50.7 1.0
HZ B:PHE435 4.5 39.2 1.0
HH11 B:ARG358 4.5 49.1 1.0
NH2 B:ARG358 4.6 43.1 1.0
CB B:SER385 4.6 36.6 1.0
CD2 B:HIS462 4.6 33.0 1.0
CD B:ARG521 4.7 42.2 1.0
HD2 B:HIS462 4.7 39.6 1.0
O B:HOH1037 4.7 49.8 1.0
HA B:SER385 4.7 41.1 1.0
HH22 B:ARG521 4.7 61.7 1.0
CZ B:ARG358 4.7 41.8 1.0
HB3 B:SER385 4.8 44.0 1.0
HG3 B:ARG521 4.9 53.0 1.0

Chlorine binding site 5 out of 5 in 8cip

Go back to Chlorine Binding Sites List in 8cip
Chlorine binding site 5 out of 5 in the Crystal Structure of Transketolase From Geobacillus Stearothermophilus


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 Transketolase From Geobacillus Stearothermophilus within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl811

b:68.1
occ:1.00
 HG C:SER354 2.1 50.3 1.0
OG C:SER354 2.9 41.9 1.0
HD3 C:PRO525 3.0 42.6 1.0
HB2 C:SER354 3.4 46.2 1.0
CB C:SER354 3.5 38.5 1.0
HB3 C:SER354 3.6 46.2 1.0
HG3 C:PRO525 3.7 46.9 1.0
CD C:PRO525 3.9 35.5 1.0
HB2 C:ASP523 4.1 44.9 1.0
HB3 C:ASP523 4.1 44.9 1.0
HB3 C:PRO525 4.2 42.8 1.0
CG C:PRO525 4.2 39.1 1.0
HD2 C:PRO525 4.5 42.6 1.0
CB C:ASP523 4.6 37.4 1.0
CB C:PRO525 4.7 35.7 1.0
N C:PRO525 4.7 33.9 1.0
O C:ASP523 4.9 33.5 1.0
HA C:PRO525 5.0 41.2 1.0
CA C:SER354 5.0 35.1 1.0

Reference:

C.Leogrande, F.Rabe Von Pappenheim, K.Tittman. Crystal Structure of Transketolase From Geobacillus Stearothermophilus To Be Published.
Page generated: Tue Jul 30 07:58:57 2024

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