Chlorine in PDB 6bz0: 1.83 Angstrom Resolution Crystal Structure of Dihydrolipoyl Dehydrogenase From Acinetobacter Baumannii in Complex with Fad.

Enzymatic activity of 1.83 Angstrom Resolution Crystal Structure of Dihydrolipoyl Dehydrogenase From Acinetobacter Baumannii in Complex with Fad.

All present enzymatic activity of 1.83 Angstrom Resolution Crystal Structure of Dihydrolipoyl Dehydrogenase From Acinetobacter Baumannii in Complex with Fad.:
1.8.1.4;

Protein crystallography data

The structure of 1.83 Angstrom Resolution Crystal Structure of Dihydrolipoyl Dehydrogenase From Acinetobacter Baumannii in Complex with Fad., PDB code: 6bz0 was solved by G.Minasov, L.Shuvalova, I.Dubrovska, O.Kiryukhina, S.Grimshaw, K.Kwon, W.F.Anderson, K.J.F.Satchell, A.Joachimiak, Center For Structuralgenomics Of Infectious Diseases (Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.63 / 1.83
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 57.965, 82.769, 96.262, 80.38, 80.21, 89.49
R / Rfree (%) 17.9 / 22.2

Other elements in 6bz0:

The structure of 1.83 Angstrom Resolution Crystal Structure of Dihydrolipoyl Dehydrogenase From Acinetobacter Baumannii in Complex with Fad. also contains other interesting chemical elements:

Magnesium (Mg) 2 atoms

Chlorine Binding Sites:

Pages:

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

Binding sites:

The binding sites of Chlorine atom in the 1.83 Angstrom Resolution Crystal Structure of Dihydrolipoyl Dehydrogenase From Acinetobacter Baumannii in Complex with Fad. (pdb code 6bz0). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 11 binding sites of Chlorine where determined in the 1.83 Angstrom Resolution Crystal Structure of Dihydrolipoyl Dehydrogenase From Acinetobacter Baumannii in Complex with Fad., PDB code: 6bz0:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 11 in 6bz0

Go back to Chlorine Binding Sites List in 6bz0
Chlorine binding site 1 out of 11 in the 1.83 Angstrom Resolution Crystal Structure of Dihydrolipoyl Dehydrogenase From Acinetobacter Baumannii in Complex with Fad.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of 1.83 Angstrom Resolution Crystal Structure of Dihydrolipoyl Dehydrogenase From Acinetobacter Baumannii in Complex with Fad. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl502

b:30.6
occ:1.00
 O A:HOH732 3.0 24.8 1.0
OG A:SER170 3.0 21.5 1.0
NH1 A:ARG278 3.2 23.1 1.0
O A:HOH802 3.4 23.8 1.0
CG A:ARG278 3.6 23.7 1.0
CB A:SER170 3.6 20.5 1.0
CD A:ARG278 3.7 23.5 1.0
C8M A:FAD501 3.7 24.8 1.0
CD1 A:ILE191 3.8 22.1 1.0
CG A:PRO154 4.1 21.5 1.0
CZ A:ARG278 4.2 23.2 1.0
CB A:PRO154 4.2 21.5 1.0
NE A:ARG278 4.4 23.2 1.0
CG2 A:ILE191 4.4 21.8 1.0
O A:GLY277 4.4 25.3 1.0
CA A:PRO154 4.6 21.1 1.0
CB A:CYS275 4.7 21.8 1.0
N A:SER170 4.7 20.5 1.0
C8 A:FAD501 4.7 22.8 1.0
CA A:SER170 4.8 20.6 1.0
O A:HOH725 4.8 37.5 1.0
CG1 A:ILE191 4.9 22.1 1.0
O A:HOH756 4.9 28.8 1.0

Chlorine binding site 2 out of 11 in 6bz0

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Chlorine binding site 2 out of 11 in the 1.83 Angstrom Resolution Crystal Structure of Dihydrolipoyl Dehydrogenase From Acinetobacter Baumannii in Complex with Fad.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of 1.83 Angstrom Resolution Crystal Structure of Dihydrolipoyl Dehydrogenase From Acinetobacter Baumannii in Complex with Fad. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl503

b:44.7
occ:1.00
 OD1 A:ASP169 3.1 28.6 1.0
N A:ASP169 3.2 20.5 1.0
N A:GLY172 3.4 22.5 1.0
CA A:GLY172 3.5 21.4 1.0
CB A:VAL168 3.6 20.6 1.0
CA A:VAL168 3.7 20.4 1.0
CG A:ASP169 3.7 26.9 1.0
CA A:GLN164 3.7 37.4 1.0
CG1 A:VAL162 3.8 28.6 1.0
C A:VAL168 4.0 20.0 1.0
CG1 A:VAL168 4.0 21.9 1.0
OD2 A:ASP169 4.2 29.7 1.0
O A:ASP169 4.2 19.1 1.0
CA A:ASP169 4.2 21.1 1.0
CB A:GLN164 4.3 42.9 1.0
N A:GLN164 4.3 35.3 1.0
CG A:GLN164 4.3 46.0 1.0
CB A:ASP169 4.5 22.9 1.0
C A:ASP169 4.5 20.1 1.0
C A:THR171 4.6 23.2 1.0
C A:GLN164 4.7 34.9 1.0
C A:GLY172 4.8 20.2 1.0
CB A:THR171 4.8 25.5 1.0
O A:HOH910 4.9 32.8 1.0
O A:GLN164 4.9 33.3 1.0
O A:ILE167 4.9 20.8 1.0
CG2 A:VAL168 5.0 20.8 1.0
N A:VAL168 5.0 20.4 1.0

Chlorine binding site 3 out of 11 in 6bz0

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Chlorine binding site 3 out of 11 in the 1.83 Angstrom Resolution Crystal Structure of Dihydrolipoyl Dehydrogenase From Acinetobacter Baumannii in Complex with Fad.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of 1.83 Angstrom Resolution Crystal Structure of Dihydrolipoyl Dehydrogenase From Acinetobacter Baumannii in Complex with Fad. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl504

b:39.8
occ:1.00
 O A:HOH676 3.0 38.4 1.0
N A:LYS221 3.1 30.7 1.0
N A:GLU370 3.2 32.7 1.0
OE2 A:GLU370 3.4 56.9 1.0
CG A:GLU370 3.4 47.4 1.0
CB A:GLU370 3.5 42.3 1.0
OD2 A:ASP220 3.7 30.7 1.0
CB A:THR368 3.8 25.7 1.0
N A:GLU369 3.8 25.9 1.0
CD A:GLU370 3.8 52.7 1.0
CA A:ASP220 3.8 29.8 1.0
OG1 A:THR368 3.9 26.0 1.0
CG A:ASP220 3.9 30.5 1.0
CB A:LYS221 3.9 34.1 1.0
CA A:GLU370 3.9 36.8 1.0
C A:ASP220 4.0 29.7 1.0
CG A:LYS221 4.0 36.0 1.0
CB A:GLU369 4.1 31.0 1.0
CA A:LYS221 4.1 31.5 1.0
C A:GLU369 4.1 30.9 1.0
CA A:GLU369 4.2 29.2 1.0
OD1 A:ASP220 4.3 29.6 1.0
CB A:ASP220 4.4 29.4 1.0
C A:THR368 4.4 28.0 1.0
O A:HOH634 4.5 24.9 0.5
CD A:LYS221 4.6 39.0 1.0
CA A:THR368 4.7 26.1 1.0
O A:ALA219 4.7 31.3 1.0
CG2 A:THR368 4.7 25.5 1.0
OE1 A:GLU370 5.0 59.0 1.0
N A:ASP220 5.0 29.3 1.0

Chlorine binding site 4 out of 11 in 6bz0

Go back to Chlorine Binding Sites List in 6bz0
Chlorine binding site 4 out of 11 in the 1.83 Angstrom Resolution Crystal Structure of Dihydrolipoyl Dehydrogenase From Acinetobacter Baumannii in Complex with Fad.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of 1.83 Angstrom Resolution Crystal Structure of Dihydrolipoyl Dehydrogenase From Acinetobacter Baumannii in Complex with Fad. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl502

b:50.5
occ:0.60
 N B:MET218 3.1 42.6 1.0
CB B:MET218 3.3 49.4 1.0
C B:LEU216 3.5 37.2 1.0
CA B:LEU216 3.5 35.8 1.0
N B:PRO217 3.5 39.1 1.0
CG B:MET218 3.6 55.8 1.0
CD B:PRO217 3.6 40.1 1.0
CA B:MET218 3.8 44.3 1.0
CG B:PRO217 4.1 41.4 1.0
O B:LEU216 4.1 35.9 1.0
C B:PRO217 4.1 41.8 1.0
CB B:LEU216 4.2 35.1 1.0
CD2 B:LEU216 4.2 36.2 1.0
CA B:PRO217 4.3 41.0 1.0
N B:ALA219 4.4 35.9 1.0
O B:HOH761 4.5 44.4 1.0
C B:MET218 4.5 40.1 1.0
N B:LEU216 4.7 34.7 1.0
CG B:LEU216 4.8 35.2 1.0
CB B:PRO217 4.9 41.9 1.0

Chlorine binding site 5 out of 11 in 6bz0

Go back to Chlorine Binding Sites List in 6bz0
Chlorine binding site 5 out of 11 in the 1.83 Angstrom Resolution Crystal Structure of Dihydrolipoyl Dehydrogenase From Acinetobacter Baumannii in Complex with Fad.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of 1.83 Angstrom Resolution Crystal Structure of Dihydrolipoyl Dehydrogenase From Acinetobacter Baumannii in Complex with Fad. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl503

b:73.0
occ:1.00
 O B:HOH625 2.7 50.2 1.0
O B:GLU296 3.2 0.4 1.0
N B:GLY298 3.4 85.3 1.0
C B:GLU296 3.4 98.0 1.0
CA B:GLY298 3.5 78.8 1.0
C B:ARG297 3.6 94.6 1.0
N B:GLU296 3.7 96.0 1.0
CB B:LEU294 3.7 87.6 1.0
N B:THR295 3.7 91.4 1.0
C B:THR295 3.8 95.4 1.0
O B:ARG297 3.8 0.3 1.0
N B:ARG297 3.9 96.7 1.0
CA B:GLU296 4.0 98.2 1.0
N B:LEU299 4.0 67.1 1.0
O B:THR295 4.0 95.8 1.0
C B:GLY298 4.2 71.6 1.0
CA B:ARG297 4.3 98.4 1.0
O B:LEU299 4.3 59.8 1.0
CA B:THR295 4.3 93.4 1.0
C B:LEU294 4.4 88.4 1.0
CG B:LEU294 4.5 86.4 1.0
CD1 B:LEU294 4.5 87.3 1.0
CA B:LEU294 4.6 86.1 1.0
CD2 B:LEU294 4.6 84.0 1.0

Chlorine binding site 6 out of 11 in 6bz0

Go back to Chlorine Binding Sites List in 6bz0
Chlorine binding site 6 out of 11 in the 1.83 Angstrom Resolution Crystal Structure of Dihydrolipoyl Dehydrogenase From Acinetobacter Baumannii in Complex with Fad.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of 1.83 Angstrom Resolution Crystal Structure of Dihydrolipoyl Dehydrogenase From Acinetobacter Baumannii in Complex with Fad. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl504

b:36.6
occ:1.00
 O B:HOH626 3.1 25.2 0.4
N B:LYS221 3.2 32.1 1.0
N B:GLU370 3.3 35.4 1.0
CB B:GLU370 3.6 43.6 1.0
CD B:LYS221 3.7 39.5 1.0
OD2 B:ASP220 3.7 30.4 1.0
N B:GLU369 3.8 29.1 1.0
CA B:ASP220 3.8 30.8 1.0
CB B:THR368 3.8 28.0 1.0
CG B:ASP220 3.8 30.4 1.0
OG1 B:THR368 3.9 28.6 1.0
CB B:LYS221 3.9 34.8 1.0
C B:ASP220 4.0 30.6 1.0
CB B:GLU369 4.0 31.7 1.0
CA B:GLU370 4.1 39.3 1.0
CA B:LYS221 4.1 32.6 1.0
CA B:GLU369 4.2 31.4 1.0
C B:GLU369 4.2 33.9 1.0
OD1 B:ASP220 4.2 29.9 1.0
CG B:LYS221 4.3 37.6 1.0
CB B:ASP220 4.3 30.3 1.0
O B:HOH626 4.4 27.1 0.6
C B:THR368 4.5 27.7 1.0
O B:ALA219 4.7 33.0 1.0
CA B:THR368 4.7 26.7 1.0
CG2 B:THR368 4.8 27.8 1.0
CE B:LYS221 4.9 41.3 1.0
N B:ASP220 5.0 31.0 1.0
CG B:GLU370 5.0 50.9 1.0

Chlorine binding site 7 out of 11 in 6bz0

Go back to Chlorine Binding Sites List in 6bz0
Chlorine binding site 7 out of 11 in the 1.83 Angstrom Resolution Crystal Structure of Dihydrolipoyl Dehydrogenase From Acinetobacter Baumannii in Complex with Fad.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of 1.83 Angstrom Resolution Crystal Structure of Dihydrolipoyl Dehydrogenase From Acinetobacter Baumannii in Complex with Fad. within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl502

b:29.1
occ:1.00
 OG C:SER170 2.9 22.8 1.0
O C:HOH707 3.0 22.5 1.0
NH1 C:ARG278 3.1 23.7 1.0
O C:HOH726 3.4 26.1 1.0
CB C:SER170 3.5 21.6 1.0
CG C:ARG278 3.6 24.2 1.0
CD1 C:ILE191 3.6 24.9 1.0
CD C:ARG278 3.7 23.9 1.0
C8M C:FAD501 3.8 26.3 1.0
CG C:PRO154 4.1 24.9 1.0
CZ C:ARG278 4.2 23.5 1.0
CB C:PRO154 4.3 25.6 1.0
CG2 C:ILE191 4.4 21.3 1.0
NE C:ARG278 4.4 23.7 1.0
CA C:PRO154 4.6 24.6 1.0
O C:GLY277 4.6 25.2 1.0
N C:SER170 4.7 20.8 1.0
CA C:SER170 4.8 21.3 1.0
CB C:CYS275 4.8 23.4 1.0
CG1 C:ILE191 4.8 23.7 1.0
C8 C:FAD501 4.8 25.9 1.0
CB C:ILE191 5.0 21.7 1.0
O C:HOH702 5.0 30.4 1.0

Chlorine binding site 8 out of 11 in 6bz0

Go back to Chlorine Binding Sites List in 6bz0
Chlorine binding site 8 out of 11 in the 1.83 Angstrom Resolution Crystal Structure of Dihydrolipoyl Dehydrogenase From Acinetobacter Baumannii in Complex with Fad.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of 1.83 Angstrom Resolution Crystal Structure of Dihydrolipoyl Dehydrogenase From Acinetobacter Baumannii in Complex with Fad. within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl503

b:43.4
occ:1.00
 OD1 C:ASP169 3.2 30.2 1.0
N C:ASP169 3.2 19.8 1.0
N C:GLY172 3.4 24.7 1.0
CA C:GLY172 3.6 23.7 1.0
CA C:GLN164 3.6 33.3 1.0
CG C:GLN164 3.6 41.6 1.0
CG C:ASP169 3.6 27.1 1.0
CG1 C:VAL162 3.7 26.5 1.0
CA C:VAL168 3.7 19.1 1.0
CB C:VAL168 3.7 19.1 1.0
CB C:GLN164 3.8 38.9 1.0
C C:VAL168 4.0 18.9 1.0
OD2 C:ASP169 4.1 31.9 1.0
N C:GLN164 4.2 33.2 1.0
CG1 C:VAL168 4.2 20.4 1.0
CA C:ASP169 4.2 21.3 1.0
O C:ASP169 4.2 18.4 1.0
CB C:ASP169 4.4 24.5 1.0
C C:ASP169 4.5 20.2 1.0
C C:THR171 4.6 25.2 1.0
C C:GLN164 4.7 32.6 1.0
C C:GLY172 4.9 22.1 1.0
CB C:THR171 4.9 27.9 1.0
O C:ILE167 5.0 20.7 1.0
CD C:GLN164 5.0 44.8 1.0

Chlorine binding site 9 out of 11 in 6bz0

Go back to Chlorine Binding Sites List in 6bz0
Chlorine binding site 9 out of 11 in the 1.83 Angstrom Resolution Crystal Structure of Dihydrolipoyl Dehydrogenase From Acinetobacter Baumannii in Complex with Fad.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of 1.83 Angstrom Resolution Crystal Structure of Dihydrolipoyl Dehydrogenase From Acinetobacter Baumannii in Complex with Fad. within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl504

b:47.1
occ:0.50
 CB C:MET218 3.6 45.9 1.0
N C:MET218 3.9 36.9 1.0
CA C:MET218 4.1 39.0 1.0
CZ2 C:TRP364 4.1 22.7 1.0
O C:HOH792 4.2 2.7 0.3
C C:MET218 4.3 34.9 1.0
O C:HOH923 4.3 42.3 1.0
N C:ALA219 4.3 30.3 1.0
CD2 C:LEU216 4.3 29.2 1.0
CA C:LEU216 4.5 29.8 1.0
CG C:MET218 4.5 52.1 1.0
C C:LEU216 4.6 31.1 1.0
CH2 C:TRP364 4.6 22.7 1.0
CB C:LEU216 4.6 29.4 1.0
O C:HOH792 4.7 39.0 0.7
O C:LEU216 4.8 30.6 1.0
N C:PRO217 4.9 32.9 1.0
O C:MET218 4.9 34.6 1.0
SD C:MET218 5.0 62.5 1.0

Chlorine binding site 10 out of 11 in 6bz0

Go back to Chlorine Binding Sites List in 6bz0
Chlorine binding site 10 out of 11 in the 1.83 Angstrom Resolution Crystal Structure of Dihydrolipoyl Dehydrogenase From Acinetobacter Baumannii in Complex with Fad.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of 1.83 Angstrom Resolution Crystal Structure of Dihydrolipoyl Dehydrogenase From Acinetobacter Baumannii in Complex with Fad. within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl505

b:35.8
occ:1.00
 O C:HOH724 3.0 29.9 1.0
N C:GLU370 3.1 32.6 1.0
N C:LYS221 3.2 27.7 1.0
OE2 C:GLU370 3.2 52.6 1.0
CB C:GLU370 3.4 40.8 1.0
CA C:ASP220 3.8 26.7 1.0
N C:GLU369 3.8 26.1 1.0
OD2 C:ASP220 3.8 27.9 1.0
CA C:GLU370 3.8 36.5 1.0
CG C:LYS221 3.8 32.1 1.0
CG C:ASP220 3.9 27.7 1.0
CB C:LYS221 3.9 30.4 1.0
CB C:THR368 3.9 24.7 1.0
C C:ASP220 4.0 26.8 1.0
CB C:GLU369 4.0 29.4 1.0
C C:GLU369 4.1 31.2 1.0
OG1 C:THR368 4.1 25.3 1.0
CD C:GLU370 4.1 50.7 1.0
CA C:GLU369 4.2 29.2 1.0
CA C:LYS221 4.2 27.9 1.0
CG C:GLU370 4.3 45.9 1.0
OD1 C:ASP220 4.4 28.0 1.0
CB C:ASP220 4.4 26.4 1.0
CD C:LYS221 4.5 35.5 1.0
C C:THR368 4.5 25.2 1.0
O C:HOH688 4.6 36.6 1.0
O C:ALA219 4.7 26.4 1.0
CA C:THR368 4.8 24.5 1.0
N C:ASP220 4.9 26.1 1.0
CG2 C:THR368 4.9 24.0 1.0

Reference:

G.Minasov, L.Shuvalova, I.Dubrovska, O.Kiryukhina, S.Grimshaw, K.Kwon, W.F.Anderson, K.J.F.Satchell, A.Joachimiak, Center For Structural Genomics Of Infectious Diseases(Csgid). 1.83 Angstrom Resolution Crystal Structure of Dihydrolipoyl Dehydrogenase From Acinetobacter Baumannii in Complex with Fad. To Be Published.
Page generated: Sat Dec 12 12:47:55 2020

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