Chlorine in PDB 7pql: Acinetobacter Baumannii Dna Gyrase B 23KDA Atpase Subdomain Complexed with EBL2704

Enzymatic activity of Acinetobacter Baumannii Dna Gyrase B 23KDA Atpase Subdomain Complexed with EBL2704

All present enzymatic activity of Acinetobacter Baumannii Dna Gyrase B 23KDA Atpase Subdomain Complexed with EBL2704:
5.6.2.2;

Protein crystallography data

The structure of Acinetobacter Baumannii Dna Gyrase B 23KDA Atpase Subdomain Complexed with EBL2704, PDB code: 7pql 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) 43.65 / 1.60
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 121.111, 48.436, 83.317, 90, 124.17, 90
R / Rfree (%) 16.1 / 21.9

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Acinetobacter Baumannii Dna Gyrase B 23KDA Atpase Subdomain Complexed with EBL2704 (pdb code 7pql). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 8 binding sites of Chlorine where determined in the Acinetobacter Baumannii Dna Gyrase B 23KDA Atpase Subdomain Complexed with EBL2704, PDB code: 7pql:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Chlorine binding site 1 out of 8 in 7pql

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Chlorine binding site 1 out of 8 in the Acinetobacter Baumannii Dna Gyrase B 23KDA Atpase Subdomain Complexed with EBL2704


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 EBL2704 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl301

b:28.9
occ:0.60
 CL1 A:80S301 0.0 28.9 0.6
CL1 A:81N302 0.2 27.8 0.4
C21 A:80S301 1.7 26.9 0.6
C21 A:81N302 1.8 27.0 0.4
C22 A:80S301 2.8 27.3 0.6
C3 A:80S301 2.8 29.6 0.6
C22 A:81N302 2.9 27.4 0.4
C3 A:81N302 2.9 28.9 0.4
N2 A:81N302 3.2 29.3 0.4
N2 A:80S301 3.2 28.3 0.6
CL2 A:80S301 3.4 29.3 0.6
O A:HOH486 3.4 38.8 1.0
OD1 A:ASN60 3.4 39.9 1.0
CL2 A:81N302 3.5 28.4 0.4
C4 A:80S301 3.5 28.4 0.6
C4 A:81N302 3.5 29.2 0.4
CD1 A:ILE92 3.6 24.6 1.0
CG A:ASN60 3.8 33.9 1.0
CB A:ASN60 3.9 31.2 1.0
C2 A:80S301 3.9 26.0 0.6
N1 A:80S301 3.9 29.9 0.6
CG1 A:ILE92 3.9 23.7 1.0
N1 A:81N302 4.0 28.6 0.4
C2 A:81N302 4.0 26.0 0.4
CG1 A:VAL134 4.3 30.3 1.0
C5 A:81N302 4.3 27.8 0.4
C5 A:80S301 4.4 26.5 0.6
O A:HOH490 4.4 34.9 1.0
CG2 A:ILE108 4.4 29.0 0.5
CG2 A:ILE108 4.4 30.2 0.5
ND2 A:ASN60 4.6 34.9 1.0
N3 A:81N302 4.7 28.4 0.4
O1 A:80S301 4.7 26.7 0.6
N3 A:80S301 4.7 25.9 0.6
O1 A:81N302 4.8 27.5 0.4
CB A:VAL134 4.8 29.8 1.0

Chlorine binding site 2 out of 8 in 7pql

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Chlorine binding site 2 out of 8 in the Acinetobacter Baumannii Dna Gyrase B 23KDA Atpase Subdomain Complexed with EBL2704


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 EBL2704 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl301

b:29.3
occ:0.60
 CL2 A:80S301 0.0 29.3 0.6
CL2 A:81N302 0.1 28.4 0.4
C22 A:80S301 1.7 27.3 0.6
C22 A:81N302 1.8 27.4 0.4
C2 A:80S301 2.7 26.0 0.6
C21 A:81N302 2.8 27.0 0.4
C21 A:80S301 2.8 26.9 0.6
C2 A:81N302 2.8 26.0 0.4
C1 A:80S301 3.3 26.0 0.6
CL1 A:81N302 3.3 27.8 0.4
CL1 A:80S301 3.4 28.9 0.6
C1 A:81N302 3.4 26.4 0.4
CG2 A:VAL134 3.5 31.7 1.0
CB A:ASN60 3.8 31.2 1.0
N1 A:80S301 3.9 29.9 0.6
CB A:VAL134 3.9 29.8 1.0
C3 A:80S301 3.9 29.6 0.6
N1 A:81N302 3.9 28.6 0.4
C3 A:81N302 3.9 28.9 0.4
CG2 A:VAL181 3.9 24.1 1.0
CG1 A:VAL57 4.0 24.0 1.0
CG A:ASN60 4.0 33.9 1.0
ND2 A:ASN60 4.1 34.9 1.0
O A:VAL57 4.2 24.9 1.0
CG1 A:VAL134 4.3 30.3 1.0
CA A:VAL57 4.4 27.2 1.0
CB A:VAL57 4.6 26.8 1.0
OD1 A:ASN60 4.7 39.9 1.0
C A:VAL57 4.8 26.1 1.0
CB A:VAL181 4.8 23.8 1.0
CG2 A:VAL57 4.8 28.3 1.0
CD1 A:ILE92 5.0 24.6 1.0

Chlorine binding site 3 out of 8 in 7pql

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Chlorine binding site 3 out of 8 in the Acinetobacter Baumannii Dna Gyrase B 23KDA Atpase Subdomain Complexed with EBL2704


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 EBL2704 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl302

b:27.8
occ:0.40
 CL1 A:81N302 0.0 27.8 0.4
CL1 A:80S301 0.2 28.9 0.6
C21 A:80S301 1.6 26.9 0.6
C21 A:81N302 1.7 27.0 0.4
C22 A:80S301 2.7 27.3 0.6
C3 A:80S301 2.7 29.6 0.6
C22 A:81N302 2.8 27.4 0.4
C3 A:81N302 2.8 28.9 0.4
N2 A:81N302 3.2 29.3 0.4
N2 A:80S301 3.2 28.3 0.6
CL2 A:80S301 3.3 29.3 0.6
CL2 A:81N302 3.4 28.4 0.4
CD1 A:ILE92 3.4 24.6 1.0
C4 A:80S301 3.4 28.4 0.6
C4 A:81N302 3.5 29.2 0.4
O A:HOH486 3.6 38.8 1.0
OD1 A:ASN60 3.6 39.9 1.0
CG1 A:ILE92 3.8 23.7 1.0
C2 A:80S301 3.8 26.0 0.6
N1 A:80S301 3.8 29.9 0.6
CG A:ASN60 3.9 33.9 1.0
C2 A:81N302 3.9 26.0 0.4
N1 A:81N302 3.9 28.6 0.4
CB A:ASN60 4.0 31.2 1.0
CG1 A:VAL134 4.3 30.3 1.0
C5 A:81N302 4.3 27.8 0.4
C5 A:80S301 4.4 26.5 0.6
CG2 A:ILE108 4.5 29.0 0.5
CG2 A:ILE108 4.5 30.2 0.5
O A:HOH490 4.5 34.9 1.0
O1 A:80S301 4.6 26.7 0.6
O1 A:81N302 4.7 27.5 0.4
N3 A:81N302 4.7 28.4 0.4
ND2 A:ASN60 4.7 34.9 1.0
N3 A:80S301 4.8 25.9 0.6
CB A:VAL134 4.8 29.8 1.0

Chlorine binding site 4 out of 8 in 7pql

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Chlorine binding site 4 out of 8 in the Acinetobacter Baumannii Dna Gyrase B 23KDA Atpase Subdomain Complexed with EBL2704


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 EBL2704 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl302

b:28.4
occ:0.40
 CL2 A:81N302 0.0 28.4 0.4
CL2 A:80S301 0.1 29.3 0.6
C22 A:80S301 1.7 27.3 0.6
C22 A:81N302 1.7 27.4 0.4
C2 A:80S301 2.6 26.0 0.6
C2 A:81N302 2.7 26.0 0.4
C21 A:81N302 2.8 27.0 0.4
C21 A:80S301 2.8 26.9 0.6
C1 A:80S301 3.2 26.0 0.6
C1 A:81N302 3.3 26.4 0.4
CL1 A:81N302 3.4 27.8 0.4
CL1 A:80S301 3.5 28.9 0.6
CG2 A:VAL134 3.5 31.7 1.0
N1 A:80S301 3.8 29.9 0.6
CB A:ASN60 3.8 31.2 1.0
CG2 A:VAL181 3.9 24.1 1.0
N1 A:81N302 3.9 28.6 0.4
CG1 A:VAL57 3.9 24.0 1.0
C3 A:80S301 3.9 29.6 0.6
C3 A:81N302 3.9 28.9 0.4
CB A:VAL134 4.0 29.8 1.0
CG A:ASN60 4.1 33.9 1.0
O A:VAL57 4.1 24.9 1.0
ND2 A:ASN60 4.2 34.9 1.0
CA A:VAL57 4.3 27.2 1.0
CG1 A:VAL134 4.4 30.3 1.0
CB A:VAL57 4.5 26.8 1.0
CB A:VAL181 4.7 23.8 1.0
C A:VAL57 4.7 26.1 1.0
OD1 A:ASN60 4.8 39.9 1.0
CG2 A:VAL57 4.8 28.3 1.0
CG2 A:THR179 4.9 26.5 1.0
CD1 A:ILE92 5.0 24.6 1.0

Chlorine binding site 5 out of 8 in 7pql

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Chlorine binding site 5 out of 8 in the Acinetobacter Baumannii Dna Gyrase B 23KDA Atpase Subdomain Complexed with EBL2704


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Acinetobacter Baumannii Dna Gyrase B 23KDA Atpase Subdomain Complexed with EBL2704 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl301

b:29.6
occ:0.60
 CL1 B:80S301 0.0 29.6 0.6
CL1 B:81N302 0.2 27.8 0.4
C21 B:80S301 1.7 24.4 0.6
C21 B:81N302 1.9 25.5 0.4
C22 B:80S301 2.7 25.1 0.6
C3 B:80S301 2.8 25.1 0.6
C22 B:81N302 2.9 25.4 0.4
C3 B:81N302 3.0 25.9 0.4
N2 B:81N302 3.2 26.1 0.4
N2 B:80S301 3.2 25.0 0.6
CL2 B:80S301 3.4 27.9 0.6
OD1 B:ASN60 3.4 35.3 1.0
CL2 B:81N302 3.5 26.1 0.4
O B:HOH510 3.5 45.7 1.0
C4 B:80S301 3.5 24.3 0.6
C4 B:81N302 3.6 26.5 0.4
CD1 B:ILE92 3.8 29.2 1.0
C2 B:80S301 3.9 25.4 0.6
N1 B:80S301 3.9 25.7 0.6
CG B:ASN60 3.9 28.7 1.0
CB B:ASN60 4.1 24.9 1.0
C2 B:81N302 4.1 26.1 0.4
N1 B:81N302 4.1 26.9 0.4
CG1 B:VAL134 4.2 26.3 1.0
O B:HOH494 4.2 32.8 1.0
CG1 B:ILE92 4.2 26.5 1.0
C5 B:81N302 4.3 29.0 0.4
CG2 B:ILE108 4.3 28.3 1.0
C5 B:80S301 4.4 25.8 0.6
N3 B:81N302 4.5 27.8 0.4
O1 B:80S301 4.7 27.0 0.6
CB B:VAL134 4.7 26.6 1.0
N3 B:80S301 4.8 25.7 0.6
O1 B:81N302 4.9 27.2 0.4
ND2 B:ASN60 4.9 30.4 1.0

Chlorine binding site 6 out of 8 in 7pql

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Chlorine binding site 6 out of 8 in the Acinetobacter Baumannii Dna Gyrase B 23KDA Atpase Subdomain Complexed with EBL2704


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Acinetobacter Baumannii Dna Gyrase B 23KDA Atpase Subdomain Complexed with EBL2704 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl301

b:27.9
occ:0.60
 CL2 B:80S301 0.0 27.9 0.6
CL2 B:81N302 0.1 26.1 0.4
C22 B:81N302 1.7 25.4 0.4
C22 B:80S301 1.7 25.1 0.6
C21 B:81N302 2.7 25.5 0.4
C2 B:80S301 2.7 25.4 0.6
C2 B:81N302 2.8 26.1 0.4
C21 B:80S301 2.8 24.4 0.6
CL1 B:81N302 3.3 27.8 0.4
C1 B:80S301 3.3 26.7 0.6
CL1 B:80S301 3.4 29.6 0.6
C1 B:81N302 3.4 27.5 0.4
CG2 B:VAL134 3.5 24.8 1.0
CB B:ASN60 3.6 24.9 1.0
CB B:VAL134 3.8 26.6 1.0
CG B:ASN60 3.8 28.7 1.0
N1 B:81N302 3.9 26.9 0.4
C3 B:81N302 3.9 25.9 0.4
N1 B:80S301 3.9 25.7 0.6
C3 B:80S301 3.9 25.1 0.6
CG2 B:VAL181 3.9 23.9 1.0
ND2 B:ASN60 4.2 30.4 1.0
CG1 B:VAL57 4.2 23.8 1.0
CG1 B:VAL134 4.3 26.3 1.0
O B:VAL57 4.3 24.8 1.0
OD1 B:ASN60 4.3 35.3 1.0
CA B:VAL57 4.6 22.5 1.0
CB B:VAL181 4.8 23.4 1.0
CB B:VAL57 4.9 24.0 1.0
C B:VAL57 5.0 23.4 1.0

Chlorine binding site 7 out of 8 in 7pql

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Chlorine binding site 7 out of 8 in the Acinetobacter Baumannii Dna Gyrase B 23KDA Atpase Subdomain Complexed with EBL2704


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Acinetobacter Baumannii Dna Gyrase B 23KDA Atpase Subdomain Complexed with EBL2704 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl302

b:27.8
occ:0.40
 CL1 B:81N302 0.0 27.8 0.4
CL1 B:80S301 0.2 29.6 0.6
C21 B:80S301 1.5 24.4 0.6
C21 B:81N302 1.7 25.5 0.4
C22 B:80S301 2.6 25.1 0.6
C3 B:80S301 2.6 25.1 0.6
C22 B:81N302 2.8 25.4 0.4
C3 B:81N302 2.8 25.9 0.4
N2 B:81N302 3.1 26.1 0.4
N2 B:80S301 3.1 25.0 0.6
CL2 B:80S301 3.3 27.9 0.6
C4 B:80S301 3.3 24.3 0.6
CL2 B:81N302 3.4 26.1 0.4
C4 B:81N302 3.4 26.5 0.4
OD1 B:ASN60 3.5 35.3 1.0
O B:HOH510 3.6 45.7 1.0
CD1 B:ILE92 3.7 29.2 1.0
N1 B:80S301 3.7 25.7 0.6
C2 B:80S301 3.7 25.4 0.6
C2 B:81N302 3.9 26.1 0.4
N1 B:81N302 3.9 26.9 0.4
CG B:ASN60 4.0 28.7 1.0
CB B:ASN60 4.1 24.9 1.0
CG1 B:ILE92 4.1 26.5 1.0
C5 B:81N302 4.2 29.0 0.4
CG1 B:VAL134 4.3 26.3 1.0
C5 B:80S301 4.3 25.8 0.6
O B:HOH494 4.4 32.8 1.0
CG2 B:ILE108 4.5 28.3 1.0
N3 B:81N302 4.5 27.8 0.4
O1 B:80S301 4.5 27.0 0.6
O1 B:81N302 4.7 27.2 0.4
N3 B:80S301 4.8 25.7 0.6
CB B:VAL134 4.9 26.6 1.0
ND2 B:ASN60 5.0 30.4 1.0

Chlorine binding site 8 out of 8 in 7pql

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Chlorine binding site 8 out of 8 in the Acinetobacter Baumannii Dna Gyrase B 23KDA Atpase Subdomain Complexed with EBL2704


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Acinetobacter Baumannii Dna Gyrase B 23KDA Atpase Subdomain Complexed with EBL2704 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl302

b:26.1
occ:0.40
 CL2 B:81N302 0.0 26.1 0.4
CL2 B:80S301 0.1 27.9 0.6
C22 B:81N302 1.7 25.4 0.4
C22 B:80S301 1.7 25.1 0.6
C2 B:80S301 2.7 25.4 0.6
C2 B:81N302 2.7 26.1 0.4
C21 B:81N302 2.8 25.5 0.4
C21 B:80S301 2.8 24.4 0.6
C1 B:80S301 3.2 26.7 0.6
C1 B:81N302 3.3 27.5 0.4
CL1 B:81N302 3.4 27.8 0.4
CL1 B:80S301 3.5 29.6 0.6
CG2 B:VAL134 3.5 24.8 1.0
CB B:ASN60 3.6 24.9 1.0
N1 B:81N302 3.9 26.9 0.4
CB B:VAL134 3.9 26.6 1.0
N1 B:80S301 3.9 25.7 0.6
CG B:ASN60 3.9 28.7 1.0
CG2 B:VAL181 3.9 23.9 1.0
C3 B:81N302 3.9 25.9 0.4
C3 B:80S301 4.0 25.1 0.6
CG1 B:VAL57 4.1 23.8 1.0
ND2 B:ASN60 4.2 30.4 1.0
O B:VAL57 4.2 24.8 1.0
CG1 B:VAL134 4.3 26.3 1.0
OD1 B:ASN60 4.4 35.3 1.0
CA B:VAL57 4.5 22.5 1.0
CB B:VAL181 4.7 23.4 1.0
CB B:VAL57 4.7 24.0 1.0
C B:VAL57 4.9 23.4 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 Jul 30 02:38:08 2024

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