Chlorine in PDB 7tzp: Crystal Structure of Putataive Short-Chain Dehydrogenase/Reductase (Fabg) From Klebsiella Pneumoniae Subsp. Pneumoniae Ntuh-K2044 in Complex with Nadh

Enzymatic activity of Crystal Structure of Putataive Short-Chain Dehydrogenase/Reductase (Fabg) From Klebsiella Pneumoniae Subsp. Pneumoniae Ntuh-K2044 in Complex with Nadh

All present enzymatic activity of Crystal Structure of Putataive Short-Chain Dehydrogenase/Reductase (Fabg) From Klebsiella Pneumoniae Subsp. Pneumoniae Ntuh-K2044 in Complex with Nadh:
1.1.1.100;

Protein crystallography data

The structure of Crystal Structure of Putataive Short-Chain Dehydrogenase/Reductase (Fabg) From Klebsiella Pneumoniae Subsp. Pneumoniae Ntuh-K2044 in Complex with Nadh, PDB code: 7tzp was solved by G.Minasov, L.Shuvalova, I.Dubrovska, O.Kiryukhina, K.J.F.Satchell, Centerfor Structural Genomics Of Infectious Diseases (Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.99 / 2.60
Space group F 2 2 2 1
Cell size a, b, c (Å), α, β, γ (°) 161.387, 256.02, 260.642, 90, 90, 90
R / Rfree (%) 18.9 / 22.7

Other elements in 7tzp:

The structure of Crystal Structure of Putataive Short-Chain Dehydrogenase/Reductase (Fabg) From Klebsiella Pneumoniae Subsp. Pneumoniae Ntuh-K2044 in Complex with Nadh also contains other interesting chemical elements:

Potassium (K) 4 atoms

Chlorine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 14;

Binding sites:

The binding sites of Chlorine atom in the Crystal Structure of Putataive Short-Chain Dehydrogenase/Reductase (Fabg) From Klebsiella Pneumoniae Subsp. Pneumoniae Ntuh-K2044 in Complex with Nadh (pdb code 7tzp). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 14 binding sites of Chlorine where determined in the Crystal Structure of Putataive Short-Chain Dehydrogenase/Reductase (Fabg) From Klebsiella Pneumoniae Subsp. Pneumoniae Ntuh-K2044 in Complex with Nadh, PDB code: 7tzp:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 14 in 7tzp

Go back to Chlorine Binding Sites List in 7tzp
Chlorine binding site 1 out of 14 in the Crystal Structure of Putataive Short-Chain Dehydrogenase/Reductase (Fabg) From Klebsiella Pneumoniae Subsp. Pneumoniae Ntuh-K2044 in Complex with Nadh


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 Putataive Short-Chain Dehydrogenase/Reductase (Fabg) From Klebsiella Pneumoniae Subsp. Pneumoniae Ntuh-K2044 in Complex with Nadh within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl302

b:54.5
occ:1.00
 O B:HOH448 2.9 39.6 1.0
NZ A:LYS65 3.1 47.8 1.0
N B:GLU102 3.1 41.1 1.0
O B:HOH498 3.1 32.4 1.0
O A:HOH478 3.4 42.7 1.0
CA B:THR101 3.8 42.2 1.0
CB B:GLU102 3.8 41.0 1.0
C B:THR101 3.9 41.0 1.0
CB B:THR101 3.9 43.4 1.0
O A:HOH449 4.0 31.6 1.0
CA B:GLU102 4.1 40.4 1.0
O2 A:EDO312 4.3 61.5 1.0
CE A:LYS65 4.4 45.5 1.0
CG2 B:THR101 4.5 44.9 1.0
CD A:LYS65 4.6 45.2 1.0
O B:HOH534 4.8 49.6 1.0
OE1 B:GLU102 4.9 42.3 1.0
N B:ALA103 5.0 41.3 1.0
O B:HOH536 5.0 39.1 1.0

Chlorine binding site 2 out of 14 in 7tzp

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Chlorine binding site 2 out of 14 in the Crystal Structure of Putataive Short-Chain Dehydrogenase/Reductase (Fabg) From Klebsiella Pneumoniae Subsp. Pneumoniae Ntuh-K2044 in Complex with Nadh


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 Putataive Short-Chain Dehydrogenase/Reductase (Fabg) From Klebsiella Pneumoniae Subsp. Pneumoniae Ntuh-K2044 in Complex with Nadh within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl303

b:57.6
occ:1.00
 O A:HOH426 2.9 34.1 1.0
O A:HOH489 3.0 39.3 1.0
N A:GLU102 3.2 41.0 1.0
NZ B:LYS65 3.3 43.5 1.0
CB A:GLU102 3.7 42.4 1.0
CA A:THR101 3.9 41.0 1.0
C A:THR101 4.0 40.0 1.0
CA A:GLU102 4.0 40.6 1.0
CB A:THR101 4.1 42.3 1.0
O B:HOH444 4.2 27.9 1.0
O3 A:GOL310 4.4 83.5 1.0
CE B:LYS65 4.5 42.4 1.0
CG2 A:THR101 4.6 43.7 1.0
CD B:LYS65 4.6 41.9 1.0
OE1 A:GLU102 4.7 46.4 1.0
N A:ALA103 4.8 41.6 1.0
C A:GLU102 5.0 40.4 1.0

Chlorine binding site 3 out of 14 in 7tzp

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Chlorine binding site 3 out of 14 in the Crystal Structure of Putataive Short-Chain Dehydrogenase/Reductase (Fabg) From Klebsiella Pneumoniae Subsp. Pneumoniae Ntuh-K2044 in Complex with Nadh


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 Putataive Short-Chain Dehydrogenase/Reductase (Fabg) From Klebsiella Pneumoniae Subsp. Pneumoniae Ntuh-K2044 in Complex with Nadh within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl304

b:65.6
occ:1.00
 N A:LYS214 3.4 50.5 1.0
CG A:LYS214 3.4 59.2 1.0
N A:ALA213 3.6 49.0 1.0
O A:HOH420 3.7 28.6 1.0
CB A:ALA213 3.8 49.5 1.0
CD A:LYS214 3.9 63.3 1.0
CB A:LYS214 4.0 55.6 1.0
CB A:GLU212 4.0 53.9 1.0
CA A:ALA213 4.0 48.1 1.0
C A:ALA213 4.1 48.2 1.0
CE A:LYS214 4.2 66.2 1.0
CA A:LYS214 4.3 51.6 1.0
OE2 A:GLU212 4.3 62.3 1.0
C A:GLU212 4.3 48.7 1.0
O A:HOH507 4.5 39.7 1.0
OE1 A:GLN23 4.6 42.1 1.0
CA A:GLU212 4.6 50.6 1.0
O A:HOH441 4.8 29.3 1.0
CG A:GLU212 4.9 56.2 1.0

Chlorine binding site 4 out of 14 in 7tzp

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Chlorine binding site 4 out of 14 in the Crystal Structure of Putataive Short-Chain Dehydrogenase/Reductase (Fabg) From Klebsiella Pneumoniae Subsp. Pneumoniae Ntuh-K2044 in Complex with Nadh


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 Putataive Short-Chain Dehydrogenase/Reductase (Fabg) From Klebsiella Pneumoniae Subsp. Pneumoniae Ntuh-K2044 in Complex with Nadh within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl305

b:81.0
occ:1.00
 N A:GLY227 3.5 46.7 1.0
CB A:SER225 3.8 45.4 1.0
CA A:GLY227 3.8 46.6 1.0
OG A:SER225 3.9 44.2 1.0
N A:ASP226 4.3 46.8 1.0
O A:HOH414 4.3 51.0 1.0
OE1 D:GLU218 4.5 58.8 1.0
CB A:LYS2 4.5 82.7 1.0
C A:ASP226 4.5 46.5 1.0
OE2 D:GLU218 4.6 62.9 1.0
CD A:LYS2 4.6 85.2 1.0
CD D:GLU218 4.6 58.3 1.0
C A:SER225 4.8 43.9 1.0
CA A:ASP226 4.9 47.4 1.0
CA A:SER225 4.9 44.1 1.0

Chlorine binding site 5 out of 14 in 7tzp

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Chlorine binding site 5 out of 14 in the Crystal Structure of Putataive Short-Chain Dehydrogenase/Reductase (Fabg) From Klebsiella Pneumoniae Subsp. Pneumoniae Ntuh-K2044 in Complex with Nadh


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 Putataive Short-Chain Dehydrogenase/Reductase (Fabg) From Klebsiella Pneumoniae Subsp. Pneumoniae Ntuh-K2044 in Complex with Nadh within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl306

b:69.1
occ:1.00
 O A:HOH439 2.9 5.8 0.3
NH1 A:ARG37 3.9 39.8 1.0
ND2 A:ASN61 3.9 41.6 1.0
CG2 A:VAL111 4.1 36.4 1.0
CB A:ALA63 4.3 41.5 1.0
OD1 A:ASN61 4.3 38.4 1.0
OD2 A:ASP110 4.5 45.3 1.0
CG A:ASN61 4.6 40.1 1.0
CZ A:ARG37 4.8 40.1 1.0
NH2 A:ARG37 4.9 41.6 1.0
CG2 A:THR107 5.0 37.9 0.3

Chlorine binding site 6 out of 14 in 7tzp

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Chlorine binding site 6 out of 14 in the Crystal Structure of Putataive Short-Chain Dehydrogenase/Reductase (Fabg) From Klebsiella Pneumoniae Subsp. Pneumoniae Ntuh-K2044 in Complex with Nadh


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Crystal Structure of Putataive Short-Chain Dehydrogenase/Reductase (Fabg) From Klebsiella Pneumoniae Subsp. Pneumoniae Ntuh-K2044 in Complex with Nadh within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl301

b:73.4
occ:1.00
 NZ C:LYS65 3.7 56.2 1.0
NE2 C:GLN121 3.8 47.1 1.0
O D:HIS98 4.1 49.6 1.0
CD C:GLN121 4.5 45.8 1.0
CA D:LYS99 4.5 50.8 1.0
CE C:LYS65 4.7 55.3 1.0
O C:HOH406 4.7 38.0 1.0
O D:LYS99 4.7 50.6 1.0
C D:LYS99 4.7 49.4 1.0
O D:LEU100 4.7 46.1 1.0
CD1 C:ILE125 4.8 50.0 1.0
OE1 C:GLN121 4.9 45.9 1.0
C D:HIS98 5.0 48.9 1.0

Chlorine binding site 7 out of 14 in 7tzp

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Chlorine binding site 7 out of 14 in the Crystal Structure of Putataive Short-Chain Dehydrogenase/Reductase (Fabg) From Klebsiella Pneumoniae Subsp. Pneumoniae Ntuh-K2044 in Complex with Nadh


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Crystal Structure of Putataive Short-Chain Dehydrogenase/Reductase (Fabg) From Klebsiella Pneumoniae Subsp. Pneumoniae Ntuh-K2044 in Complex with Nadh within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl301

b:78.3
occ:1.00
 NZ D:LYS65 3.5 68.1 1.0
NE2 D:GLN121 3.7 56.2 1.0
O C:HIS98 4.1 63.2 1.0
CE D:LYS65 4.3 65.5 1.0
CD D:GLN121 4.4 54.4 1.0
CD1 D:ILE125 4.5 58.0 1.0
O C:LEU100 4.9 57.6 1.0
OE1 D:GLN121 4.9 54.1 1.0
CA C:LYS99 5.0 62.2 1.0
O C:LYS99 5.0 61.7 1.0

Chlorine binding site 8 out of 14 in 7tzp

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Chlorine binding site 8 out of 14 in the Crystal Structure of Putataive Short-Chain Dehydrogenase/Reductase (Fabg) From Klebsiella Pneumoniae Subsp. Pneumoniae Ntuh-K2044 in Complex with Nadh


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Crystal Structure of Putataive Short-Chain Dehydrogenase/Reductase (Fabg) From Klebsiella Pneumoniae Subsp. Pneumoniae Ntuh-K2044 in Complex with Nadh within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl302

b:58.0
occ:1.00
 O D:HOH427 3.0 39.8 1.0
N D:GLU102 3.0 50.3 1.0
O D:HOH410 3.2 43.9 1.0
NZ C:LYS65 3.6 56.2 1.0
CB D:GLU102 3.7 53.5 1.0
CA D:THR101 3.7 48.4 1.0
CB D:THR101 3.8 49.7 1.0
C D:THR101 3.8 48.3 1.0
CA D:GLU102 3.9 50.9 1.0
O C:HOH406 4.3 38.0 1.0
CG2 D:THR101 4.4 50.2 1.0
N D:ALA103 4.6 52.2 1.0
CE C:LYS65 4.8 55.3 1.0
C D:GLU102 4.8 51.1 1.0
CD C:LYS65 4.9 55.4 1.0
OE1 D:GLU102 4.9 60.1 1.0
OG1 D:THR101 5.0 49.1 1.0

Chlorine binding site 9 out of 14 in 7tzp

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Chlorine binding site 9 out of 14 in the Crystal Structure of Putataive Short-Chain Dehydrogenase/Reductase (Fabg) From Klebsiella Pneumoniae Subsp. Pneumoniae Ntuh-K2044 in Complex with Nadh


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Crystal Structure of Putataive Short-Chain Dehydrogenase/Reductase (Fabg) From Klebsiella Pneumoniae Subsp. Pneumoniae Ntuh-K2044 in Complex with Nadh within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl302

b:78.4
occ:1.00
 NZ F:LYS65 3.6 68.8 1.0
NE2 F:GLN121 3.6 66.2 1.0
O E:HIS98 4.1 77.4 1.0
CD F:GLN121 4.5 63.1 1.0
CE F:LYS65 4.5 68.0 1.0
CA E:LYS99 4.6 69.1 1.0
CD1 F:ILE125 4.6 70.0 1.0
O E:LYS99 4.7 70.0 1.0
C E:LYS99 4.8 67.2 1.0
O E:LEU100 4.8 60.9 1.0
C E:HIS98 4.9 74.7 1.0
O F:HOH411 4.9 36.9 1.0

Chlorine binding site 10 out of 14 in 7tzp

Go back to Chlorine Binding Sites List in 7tzp
Chlorine binding site 10 out of 14 in the Crystal Structure of Putataive Short-Chain Dehydrogenase/Reductase (Fabg) From Klebsiella Pneumoniae Subsp. Pneumoniae Ntuh-K2044 in Complex with Nadh


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Crystal Structure of Putataive Short-Chain Dehydrogenase/Reductase (Fabg) From Klebsiella Pneumoniae Subsp. Pneumoniae Ntuh-K2044 in Complex with Nadh within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl303

b:71.2
occ:1.00
 N F:GLU102 3.0 52.7 1.0
O F:HOH427 3.2 34.8 1.0
NZ E:LYS65 3.3 57.0 1.0
CA F:THR101 3.6 51.3 1.0
CB F:GLU102 3.8 56.9 1.0
C F:THR101 3.8 50.3 1.0
CB F:THR101 3.8 53.4 1.0
CA F:GLU102 4.0 52.6 1.0
O E:HOH411 4.1 38.7 1.0
CG2 F:THR101 4.4 54.6 1.0
O1 E:EDO309 4.5 73.7 1.0
CE E:LYS65 4.6 56.2 1.0
CD E:LYS65 4.7 56.2 1.0
N F:ALA103 4.8 54.1 1.0
O2 E:EDO309 4.8 70.9 1.0
N F:THR101 4.9 49.1 1.0
OE1 F:GLU102 5.0 67.0 1.0

Reference:

G.Minasov, L.Shuvalova, I.Dubrovska, O.Kiryukhina, K.J.F.Satchell, Center For Structural Genomics Of Infectious Diseases(Csgid). Crystal Structure of Putataive Short-Chain Dehydrogenase/Reductase (Fabg) From Klebsiella Pneumoniae Subsp. Pneumoniae Ntuh-K2044 in Complex with Nadh. To Be Published.
Page generated: Tue Apr 4 21:56:23 2023

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