Chlorine in PDB 7pqm: Acinetobacter Baumannii Dna Gyrase B 23KDA Atpase Subdomain Complexed with EBL2888

Enzymatic activity of Acinetobacter Baumannii Dna Gyrase B 23KDA Atpase Subdomain Complexed with EBL2888

All present enzymatic activity of Acinetobacter Baumannii Dna Gyrase B 23KDA Atpase Subdomain Complexed with EBL2888:
5.6.2.2;

Protein crystallography data

The structure of Acinetobacter Baumannii Dna Gyrase B 23KDA Atpase Subdomain Complexed with EBL2888, PDB code: 7pqm was solved by A.E.Cotman, A.Zega, N.Zidar, J.Ilas, T.Tomasic, L.P.Masic, J.E.A.Mundy, C.E.M.Stevenson, N.Burton, D.M.Lawson, A.Maxwell, D.Kikelj, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 43.54 / 1.55
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 120.634, 48.293, 82.692, 90, 123.85, 90
R / Rfree (%) 18 / 22.4

Other elements in 7pqm:

The structure of Acinetobacter Baumannii Dna Gyrase B 23KDA Atpase Subdomain Complexed with EBL2888 also contains other interesting chemical elements:

Calcium (Ca) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Acinetobacter Baumannii Dna Gyrase B 23KDA Atpase Subdomain Complexed with EBL2888 (pdb code 7pqm). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Acinetobacter Baumannii Dna Gyrase B 23KDA Atpase Subdomain Complexed with EBL2888, PDB code: 7pqm:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 7pqm

Go back to Chlorine Binding Sites List in 7pqm
Chlorine binding site 1 out of 4 in the Acinetobacter Baumannii Dna Gyrase B 23KDA Atpase Subdomain Complexed with EBL2888


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Acinetobacter Baumannii Dna Gyrase B 23KDA Atpase Subdomain Complexed with EBL2888 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl301

b:31.9
occ:1.00
 CL1 A:80S301 0.0 31.9 1.0
C21 A:80S301 1.7 28.8 1.0
C22 A:80S301 2.7 29.1 1.0
C3 A:80S301 2.8 29.1 1.0
N2 A:80S301 3.2 28.4 1.0
CL2 A:80S301 3.3 30.4 1.0
CD1 A:ILE92 3.5 26.0 1.0
C4 A:80S301 3.5 30.8 1.0
OD1 A:ASN60 3.5 40.6 1.0
CG1 A:ILE92 3.8 26.8 1.0
CG A:ASN60 3.8 34.0 1.0
C2 A:80S301 3.9 28.8 1.0
N1 A:80S301 3.9 29.7 1.0
CB A:ASN60 3.9 30.8 1.0
CG1 A:VAL134 4.3 36.3 1.0
C5 A:80S301 4.3 28.4 1.0
CG2 A:ILE108 4.4 33.0 1.0
O1 A:80S301 4.7 32.8 1.0
ND2 A:ASN60 4.7 37.1 1.0
N3 A:80S301 4.7 29.3 1.0
CB A:VAL134 4.8 34.5 1.0
O A:HOH540 4.8 64.5 1.0
C15 A:80S301 5.0 43.8 1.0

Chlorine binding site 2 out of 4 in 7pqm

Go back to Chlorine Binding Sites List in 7pqm
Chlorine binding site 2 out of 4 in the Acinetobacter Baumannii Dna Gyrase B 23KDA Atpase Subdomain Complexed with EBL2888


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Acinetobacter Baumannii Dna Gyrase B 23KDA Atpase Subdomain Complexed with EBL2888 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl301

b:30.4
occ:1.00
 CL2 A:80S301 0.0 30.4 1.0
C22 A:80S301 1.7 29.1 1.0
C21 A:80S301 2.8 28.8 1.0
C2 A:80S301 2.8 28.8 1.0
CL1 A:80S301 3.3 31.9 1.0
C1 A:80S301 3.3 30.6 1.0
CG2 A:VAL134 3.5 37.1 1.0
CB A:ASN60 3.7 30.8 1.0
CG2 A:VAL181 3.8 28.2 1.0
N1 A:80S301 3.9 29.7 1.0
C3 A:80S301 3.9 29.1 1.0
CB A:VAL134 3.9 34.5 1.0
CG1 A:VAL57 4.0 31.5 1.0
CG A:ASN60 4.0 34.0 1.0
ND2 A:ASN60 4.2 37.1 1.0
O A:VAL57 4.3 30.3 1.0
CG1 A:VAL134 4.4 36.3 1.0
CA A:VAL57 4.5 30.5 1.0
CB A:VAL57 4.6 31.3 1.0
OD1 A:ASN60 4.7 40.6 1.0
CB A:VAL181 4.7 26.5 1.0
CD1 A:ILE92 4.7 26.0 1.0
CG2 A:VAL57 4.9 31.6 1.0
C A:VAL57 4.9 29.2 1.0
CG2 A:THR179 5.0 30.3 1.0

Chlorine binding site 3 out of 4 in 7pqm

Go back to Chlorine Binding Sites List in 7pqm
Chlorine binding site 3 out of 4 in the Acinetobacter Baumannii Dna Gyrase B 23KDA Atpase Subdomain Complexed with EBL2888


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Acinetobacter Baumannii Dna Gyrase B 23KDA Atpase Subdomain Complexed with EBL2888 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl301

b:32.5
occ:1.00
 CL1 B:80S301 0.0 32.5 1.0
C21 B:80S301 1.7 28.8 1.0
C22 B:80S301 2.8 28.1 1.0
C3 B:80S301 2.8 28.3 1.0
N2 B:80S301 3.2 31.7 1.0
CL2 B:80S301 3.4 30.9 1.0
C4 B:80S301 3.5 29.8 1.0
OD1 B:ASN60 3.5 36.9 1.0
CD1 B:ILE92 3.6 32.2 1.0
N1 B:80S301 3.9 29.7 1.0
C2 B:80S301 3.9 28.9 1.0
CG1 B:ILE92 4.1 31.4 1.0
CG B:ASN60 4.1 27.8 1.0
CB B:ASN60 4.2 27.2 1.0
CG2 B:ILE108 4.3 30.5 1.0
C5 B:80S301 4.4 36.0 1.0
CG1 B:VAL134 4.4 28.2 1.0
O B:HOH501 4.6 35.6 1.0
O1 B:80S301 4.7 29.7 1.0
N3 B:80S301 4.7 42.7 1.0
CB B:VAL134 4.9 29.9 1.0

Chlorine binding site 4 out of 4 in 7pqm

Go back to Chlorine Binding Sites List in 7pqm
Chlorine binding site 4 out of 4 in the Acinetobacter Baumannii Dna Gyrase B 23KDA Atpase Subdomain Complexed with EBL2888


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Acinetobacter Baumannii Dna Gyrase B 23KDA Atpase Subdomain Complexed with EBL2888 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl301

b:30.9
occ:1.00
 CL2 B:80S301 0.0 30.9 1.0
C22 B:80S301 1.7 28.1 1.0
C2 B:80S301 2.7 28.9 1.0
C21 B:80S301 2.8 28.8 1.0
C1 B:80S301 3.3 29.7 1.0
CL1 B:80S301 3.4 32.5 1.0
CB B:ASN60 3.5 27.2 1.0
CG2 B:VAL134 3.6 28.4 1.0
CG B:ASN60 3.8 27.8 1.0
CG2 B:VAL181 3.8 27.8 1.0
N1 B:80S301 3.9 29.7 1.0
C3 B:80S301 3.9 28.3 1.0
CB B:VAL134 3.9 29.9 1.0
ND2 B:ASN60 4.2 31.7 1.0
CG1 B:VAL57 4.2 27.2 1.0
OD1 B:ASN60 4.2 36.9 1.0
CG1 B:VAL134 4.4 28.2 1.0
O B:VAL57 4.4 30.3 1.0
CB B:VAL181 4.7 25.5 1.0
CA B:VAL57 4.7 27.0 1.0
CB B:VAL57 4.9 26.6 1.0

Reference:

A.E.Cotman, A.Zega, N.Zidar, J.Ilas, T.Tomasic, L.P.Masic, J.E.A.Mundy, C.E.M.Stevenson, N.Burton, D.M.Lawson, A.Maxwell, D.Kikelj. Acinetobacter Baumannii Dna Gyrase B 23KDA Atpase Subdomain Complexed with Novobiocin To Be Published.
Page generated: Tue Apr 4 21:14:32 2023

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