Chlorine in PDB 6q5f: Oxa-48_P68A-Caz. Evolutionary Trade-Offs of Oxa-48 Mediated Ceftazidime-Avibactam Resistance
Enzymatic activity of Oxa-48_P68A-Caz. Evolutionary Trade-Offs of Oxa-48 Mediated Ceftazidime-Avibactam Resistance
All present enzymatic activity of Oxa-48_P68A-Caz. Evolutionary Trade-Offs of Oxa-48 Mediated Ceftazidime-Avibactam Resistance:
3.5.2.6;
Protein crystallography data
The structure of Oxa-48_P68A-Caz. Evolutionary Trade-Offs of Oxa-48 Mediated Ceftazidime-Avibactam Resistance, PDB code: 6q5f
was solved by
C.Frohlich,
V.Sorum,
A.M.Thomassen,
P.J.Johnsen,
H.-K.S.Leiros,
O.Samuelsen,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
|
Resolution Low / High (Å)
|
24.97 /
2.50
|
|
Space group
|
P 21 21 21
|
|
Cell size a, b, c (Å), α, β, γ (°)
|
89.986,
105.369,
125.281,
90.00,
90.00,
90.00
|
|
R / Rfree (%)
|
22.4 /
28.7
|
Chlorine Binding Sites:
The binding sites of Chlorine atom in the Oxa-48_P68A-Caz. Evolutionary Trade-Offs of Oxa-48 Mediated Ceftazidime-Avibactam Resistance
(pdb code 6q5f). This binding sites where shown within
5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the
Oxa-48_P68A-Caz. Evolutionary Trade-Offs of Oxa-48 Mediated Ceftazidime-Avibactam Resistance, PDB code: 6q5f:
Jump to Chlorine binding site number:
1;
2;
3;
4;
5;
6;
Chlorine binding site 1 out
of 6 in 6q5f
Go back to
Chlorine Binding Sites List in 6q5f
Chlorine binding site 1 out
of 6 in the Oxa-48_P68A-Caz. Evolutionary Trade-Offs of Oxa-48 Mediated Ceftazidime-Avibactam Resistance
 Mono view
 Stereo pair view
|
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 1 of Oxa-48_P68A-Caz. Evolutionary Trade-Offs of Oxa-48 Mediated Ceftazidime-Avibactam Resistance within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl302
b:24.5
occ:1.00
|
HH12
|
B:ARG206
|
2.3
|
29.1
|
1.0
|
|
HH12
|
A:ARG206
|
2.4
|
28.4
|
1.0
|
|
HH22
|
A:ARG206
|
2.5
|
28.2
|
1.0
|
|
HH22
|
B:ARG206
|
2.6
|
28.7
|
1.0
|
|
HD22
|
B:LEU196
|
2.8
|
28.4
|
1.0
|
|
NH1
|
B:ARG206
|
3.1
|
24.2
|
1.0
|
|
NH1
|
A:ARG206
|
3.2
|
23.7
|
1.0
|
|
HD22
|
A:LEU196
|
3.2
|
29.2
|
1.0
|
|
NH2
|
A:ARG206
|
3.2
|
23.5
|
1.0
|
|
NH2
|
B:ARG206
|
3.3
|
23.9
|
1.0
|
|
HA
|
A:GLN193
|
3.5
|
28.7
|
1.0
|
|
HG3
|
B:GLN193
|
3.5
|
28.5
|
1.0
|
|
HA
|
B:GLN193
|
3.5
|
28.7
|
1.0
|
|
HG3
|
A:GLN193
|
3.6
|
29.0
|
1.0
|
|
CZ
|
A:ARG206
|
3.6
|
23.7
|
1.0
|
|
CZ
|
B:ARG206
|
3.7
|
24.1
|
1.0
|
|
CD2
|
B:LEU196
|
3.7
|
23.7
|
1.0
|
|
HH11
|
B:ARG206
|
3.8
|
29.1
|
1.0
|
|
HH11
|
A:ARG206
|
3.9
|
28.4
|
1.0
|
|
HD23
|
B:LEU196
|
3.9
|
28.4
|
1.0
|
|
HH21
|
A:ARG206
|
3.9
|
28.2
|
1.0
|
|
HB2
|
B:LEU196
|
4.0
|
28.5
|
1.0
|
|
HH21
|
B:ARG206
|
4.1
|
28.7
|
1.0
|
|
HB2
|
A:LEU196
|
4.1
|
28.1
|
1.0
|
|
HD21
|
B:LEU196
|
4.1
|
28.4
|
1.0
|
|
HD13
|
A:LEU196
|
4.1
|
28.3
|
1.0
|
|
CD2
|
A:LEU196
|
4.2
|
24.4
|
1.0
|
|
O
|
A:HOH489
|
4.2
|
24.6
|
1.0
|
|
HB2
|
B:GLN193
|
4.4
|
29.8
|
1.0
|
|
CG
|
B:GLN193
|
4.4
|
23.8
|
1.0
|
|
CA
|
B:GLN193
|
4.4
|
23.9
|
1.0
|
|
CA
|
A:GLN193
|
4.4
|
23.9
|
1.0
|
|
CG
|
A:GLN193
|
4.4
|
24.2
|
1.0
|
|
HD13
|
B:LEU196
|
4.5
|
29.0
|
1.0
|
|
HD21
|
A:LEU196
|
4.6
|
29.2
|
1.0
|
|
HD23
|
A:LEU196
|
4.6
|
29.2
|
1.0
|
|
CB
|
B:GLN193
|
4.6
|
24.8
|
1.0
|
|
HB2
|
A:GLN193
|
4.7
|
29.2
|
1.0
|
|
CG
|
B:LEU196
|
4.7
|
23.3
|
1.0
|
|
CB
|
A:GLN193
|
4.8
|
24.4
|
1.0
|
|
HG2
|
A:GLN193
|
4.8
|
29.0
|
1.0
|
|
CB
|
B:LEU196
|
4.8
|
23.8
|
1.0
|
|
HG2
|
B:GLN193
|
4.8
|
28.5
|
1.0
|
|
CG
|
A:LEU196
|
4.9
|
23.4
|
1.0
|
|
CB
|
A:LEU196
|
4.9
|
23.4
|
1.0
|
|
CD1
|
A:LEU196
|
4.9
|
23.6
|
1.0
|
|
NE
|
A:ARG206
|
4.9
|
23.6
|
1.0
|
|
O
|
B:GLN193
|
5.0
|
23.9
|
1.0
|
|
Chlorine binding site 2 out
of 6 in 6q5f
Go back to
Chlorine Binding Sites List in 6q5f
Chlorine binding site 2 out
of 6 in the Oxa-48_P68A-Caz. Evolutionary Trade-Offs of Oxa-48 Mediated Ceftazidime-Avibactam Resistance
 Mono view
 Stereo pair view
|
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 2 of Oxa-48_P68A-Caz. Evolutionary Trade-Offs of Oxa-48 Mediated Ceftazidime-Avibactam Resistance within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl303
b:29.2
occ:1.00
|
H
|
A:LEU111
|
2.0
|
30.9
|
1.0
|
|
HE2
|
A:PHE93
|
2.6
|
33.4
|
1.0
|
|
HB2
|
A:LEU111
|
2.7
|
31.3
|
1.0
|
|
O
|
A:GLN91
|
2.7
|
27.2
|
1.0
|
|
N
|
A:LEU111
|
2.8
|
25.8
|
1.0
|
|
O
|
A:ASP88
|
2.8
|
26.3
|
1.0
|
|
HB2
|
A:ASN110
|
2.9
|
31.3
|
1.0
|
|
HA
|
A:GLU89
|
3.0
|
32.4
|
1.0
|
|
HB3
|
A:GLN91
|
3.0
|
33.5
|
1.0
|
|
H
|
A:GLN91
|
3.0
|
32.9
|
1.0
|
|
HA
|
A:ASN110
|
3.3
|
31.1
|
1.0
|
|
N
|
A:GLN91
|
3.3
|
27.4
|
1.0
|
|
CE2
|
A:PHE93
|
3.3
|
27.9
|
1.0
|
|
C
|
A:GLU89
|
3.4
|
26.3
|
1.0
|
|
HG13
|
A:VAL86
|
3.4
|
32.9
|
1.0
|
|
CB
|
A:LEU111
|
3.4
|
26.1
|
1.0
|
|
O
|
A:GLU89
|
3.5
|
25.8
|
1.0
|
|
HB3
|
A:LEU111
|
3.6
|
31.3
|
1.0
|
|
C
|
A:GLN91
|
3.6
|
27.3
|
1.0
|
|
CA
|
A:GLU89
|
3.6
|
27.0
|
1.0
|
|
CA
|
A:LEU111
|
3.7
|
25.8
|
1.0
|
|
CB
|
A:ASN110
|
3.7
|
26.1
|
1.0
|
|
C
|
A:ASN110
|
3.7
|
25.9
|
1.0
|
|
CA
|
A:ASN110
|
3.7
|
25.9
|
1.0
|
|
CA
|
A:GLN91
|
3.7
|
27.5
|
1.0
|
|
CB
|
A:GLN91
|
3.7
|
27.9
|
1.0
|
|
N
|
A:HIS90
|
3.8
|
26.9
|
1.0
|
|
C
|
A:ASP88
|
3.8
|
27.0
|
1.0
|
|
C
|
A:HIS90
|
3.9
|
27.0
|
1.0
|
|
HZ
|
A:PHE93
|
3.9
|
34.1
|
1.0
|
|
HG11
|
A:VAL86
|
4.0
|
32.9
|
1.0
|
|
CZ
|
A:PHE93
|
4.0
|
28.4
|
1.0
|
|
HA
|
A:LEU111
|
4.1
|
31.0
|
1.0
|
|
H
|
A:HIS90
|
4.1
|
32.3
|
1.0
|
|
HB3
|
A:ASN110
|
4.1
|
31.3
|
1.0
|
|
CG1
|
A:VAL86
|
4.1
|
27.4
|
1.0
|
|
HB2
|
A:GLN91
|
4.1
|
33.5
|
1.0
|
|
CD2
|
A:PHE93
|
4.2
|
27.2
|
1.0
|
|
HD2
|
A:PHE93
|
4.2
|
32.6
|
1.0
|
|
N
|
A:GLU89
|
4.2
|
27.3
|
1.0
|
|
CA
|
A:HIS90
|
4.4
|
27.1
|
1.0
|
|
HG12
|
A:VAL86
|
4.5
|
32.9
|
1.0
|
|
H
|
A:ASP88
|
4.6
|
34.1
|
1.0
|
|
HA
|
A:HIS90
|
4.6
|
32.5
|
1.0
|
|
O
|
A:HIS90
|
4.6
|
25.5
|
1.0
|
|
H
|
A:ILE112
|
4.7
|
30.6
|
1.0
|
|
HA
|
A:GLN91
|
4.7
|
33.0
|
1.0
|
|
CG
|
A:LEU111
|
4.8
|
26.5
|
1.0
|
|
N
|
A:VAL92
|
4.8
|
27.2
|
1.0
|
|
HG22
|
A:VAL86
|
4.8
|
32.4
|
1.0
|
|
HD13
|
A:LEU111
|
4.8
|
31.7
|
1.0
|
|
HB2
|
A:GLU89
|
4.9
|
31.2
|
1.0
|
|
CG
|
A:ASN110
|
4.9
|
26.2
|
1.0
|
|
O
|
A:ASN110
|
4.9
|
25.8
|
1.0
|
|
HG2
|
A:GLN91
|
4.9
|
33.4
|
1.0
|
|
CB
|
A:GLU89
|
4.9
|
26.0
|
1.0
|
|
CG
|
A:GLN91
|
4.9
|
27.8
|
1.0
|
|
HD22
|
A:LEU111
|
4.9
|
31.2
|
1.0
|
|
C
|
A:LEU111
|
5.0
|
26.1
|
1.0
|
|
Chlorine binding site 3 out
of 6 in 6q5f
Go back to
Chlorine Binding Sites List in 6q5f
Chlorine binding site 3 out
of 6 in the Oxa-48_P68A-Caz. Evolutionary Trade-Offs of Oxa-48 Mediated Ceftazidime-Avibactam Resistance
 Mono view
 Stereo pair view
|
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 3 of Oxa-48_P68A-Caz. Evolutionary Trade-Offs of Oxa-48 Mediated Ceftazidime-Avibactam Resistance within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl301
b:31.3
occ:1.00
|
HD22
|
B:ASN76
|
2.2
|
31.5
|
1.0
|
|
HD2
|
B:PHE72
|
2.5
|
30.2
|
1.0
|
|
ND2
|
B:ASN76
|
3.0
|
26.2
|
1.0
|
|
HB3
|
B:TYR123
|
3.1
|
32.1
|
1.0
|
|
OQ2
|
B:KCX73
|
3.2
|
26.9
|
1.0
|
|
HG3
|
B:KCX73
|
3.2
|
31.9
|
1.0
|
|
HB3
|
B:PHE72
|
3.3
|
30.2
|
1.0
|
|
HA
|
B:KCX73
|
3.3
|
30.8
|
1.0
|
|
HB2
|
B:ASN76
|
3.3
|
30.9
|
1.0
|
|
CE2
|
B:TRP157
|
3.3
|
25.1
|
1.0
|
|
HG2
|
B:KCX73
|
3.3
|
31.9
|
1.0
|
|
CD2
|
B:PHE72
|
3.4
|
25.1
|
1.0
|
|
NE1
|
B:TRP157
|
3.5
|
25.7
|
1.0
|
|
HB3
|
B:ASN76
|
3.5
|
30.9
|
1.0
|
|
HD21
|
B:ASN76
|
3.5
|
31.5
|
1.0
|
|
CZ2
|
B:TRP157
|
3.6
|
25.4
|
1.0
|
|
HE1
|
B:TRP157
|
3.6
|
30.9
|
1.0
|
|
CG
|
B:KCX73
|
3.7
|
26.5
|
1.0
|
|
CB
|
B:ASN76
|
3.7
|
25.8
|
1.0
|
|
CD2
|
B:TRP157
|
3.7
|
25.4
|
1.0
|
|
HD2
|
B:TYR123
|
3.8
|
31.9
|
1.0
|
|
HZ2
|
B:TRP157
|
3.8
|
30.5
|
1.0
|
|
O
|
B:PHE72
|
3.8
|
24.7
|
1.0
|
|
C
|
B:PHE72
|
3.8
|
24.8
|
1.0
|
|
CG
|
B:ASN76
|
3.8
|
25.6
|
1.0
|
|
N
|
B:KCX73
|
3.9
|
24.8
|
1.0
|
|
CB
|
B:TYR123
|
3.9
|
26.8
|
1.0
|
|
CA
|
B:KCX73
|
3.9
|
25.7
|
1.0
|
|
CD1
|
B:TRP157
|
4.0
|
25.9
|
1.0
|
|
HB2
|
B:TYR123
|
4.0
|
32.1
|
1.0
|
|
CB
|
B:PHE72
|
4.1
|
25.2
|
1.0
|
|
CX
|
B:KCX73
|
4.1
|
26.8
|
1.0
|
|
CG
|
B:TRP157
|
4.1
|
25.8
|
1.0
|
|
HE2
|
B:PHE72
|
4.1
|
30.2
|
1.0
|
|
CG
|
B:PHE72
|
4.2
|
24.8
|
1.0
|
|
CH2
|
B:TRP157
|
4.2
|
25.8
|
1.0
|
|
HE2
|
B:KCX73
|
4.2
|
32.3
|
1.0
|
|
H
|
B:KCX73
|
4.2
|
29.8
|
1.0
|
|
CE2
|
B:PHE72
|
4.2
|
25.1
|
1.0
|
|
CD2
|
B:TYR123
|
4.2
|
26.5
|
1.0
|
|
CE3
|
B:TRP157
|
4.4
|
25.8
|
1.0
|
|
CG
|
B:TYR123
|
4.4
|
26.9
|
1.0
|
|
CB
|
B:KCX73
|
4.4
|
26.1
|
1.0
|
|
HD1
|
B:TRP157
|
4.5
|
31.1
|
1.0
|
|
CZ3
|
B:TRP157
|
4.5
|
25.9
|
1.0
|
|
CA
|
B:PHE72
|
4.6
|
25.3
|
1.0
|
|
HH2
|
B:TRP157
|
4.7
|
31.0
|
1.0
|
|
HA
|
B:SER70
|
4.7
|
30.9
|
1.0
|
|
NZ
|
B:KCX73
|
4.7
|
27.6
|
1.0
|
|
CE
|
B:KCX73
|
4.7
|
26.9
|
1.0
|
|
OQ1
|
B:KCX73
|
4.7
|
25.6
|
1.0
|
|
CD
|
B:KCX73
|
4.9
|
26.8
|
1.0
|
|
HB2
|
B:PHE72
|
4.9
|
30.2
|
1.0
|
|
HE3
|
B:TRP157
|
5.0
|
30.9
|
1.0
|
|
HB2
|
B:KCX73
|
5.0
|
31.3
|
1.0
|
|
HB3
|
B:KCX73
|
5.0
|
31.3
|
1.0
|
|
Chlorine binding site 4 out
of 6 in 6q5f
Go back to
Chlorine Binding Sites List in 6q5f
Chlorine binding site 4 out
of 6 in the Oxa-48_P68A-Caz. Evolutionary Trade-Offs of Oxa-48 Mediated Ceftazidime-Avibactam Resistance
 Mono view
 Stereo pair view
|
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 4 of Oxa-48_P68A-Caz. Evolutionary Trade-Offs of Oxa-48 Mediated Ceftazidime-Avibactam Resistance within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl302
b:31.4
occ:1.00
|
HG
|
B:SER184
|
2.1
|
33.3
|
1.0
|
|
HH21
|
B:ARG186
|
2.4
|
31.8
|
1.0
|
|
OG
|
B:SER184
|
2.9
|
27.8
|
1.0
|
|
HG
|
B:SER187
|
2.9
|
34.3
|
1.0
|
|
NH2
|
B:ARG186
|
3.1
|
26.5
|
1.0
|
|
HH22
|
B:ARG186
|
3.2
|
31.8
|
1.0
|
|
HB3
|
B:ARG186
|
3.3
|
31.6
|
1.0
|
|
HD3
|
B:ARG186
|
3.3
|
31.1
|
1.0
|
|
OG
|
B:SER187
|
3.4
|
28.6
|
1.0
|
|
HB3
|
B:SER184
|
3.7
|
33.5
|
1.0
|
|
HA
|
B:ASP82
|
3.7
|
32.5
|
1.0
|
|
H
|
B:SER187
|
3.8
|
32.3
|
1.0
|
|
CB
|
B:SER184
|
3.8
|
27.9
|
1.0
|
|
HG2
|
B:ARG186
|
3.8
|
31.8
|
1.0
|
|
HB2
|
B:SER184
|
4.0
|
33.5
|
1.0
|
|
CD
|
B:ARG186
|
4.1
|
25.9
|
1.0
|
|
CB
|
B:ARG186
|
4.1
|
26.4
|
1.0
|
|
O
|
B:HOH437
|
4.1
|
25.9
|
1.0
|
|
N
|
B:SER187
|
4.2
|
26.9
|
1.0
|
|
CG
|
B:ARG186
|
4.2
|
26.5
|
1.0
|
|
O
|
B:LEU81
|
4.2
|
26.9
|
1.0
|
|
CZ
|
B:ARG186
|
4.3
|
25.7
|
1.0
|
|
HA
|
B:SER187
|
4.6
|
31.4
|
1.0
|
|
CB
|
B:SER187
|
4.6
|
27.2
|
1.0
|
|
NE
|
B:ARG186
|
4.7
|
25.7
|
1.0
|
|
CA
|
B:ASP82
|
4.7
|
27.1
|
1.0
|
|
CA
|
B:SER187
|
4.7
|
26.2
|
1.0
|
|
HB2
|
B:ARG186
|
4.7
|
31.6
|
1.0
|
|
HB3
|
B:LEU81
|
4.8
|
31.2
|
1.0
|
|
C
|
B:ARG186
|
4.9
|
26.2
|
1.0
|
|
HD2
|
B:ARG186
|
4.9
|
31.1
|
1.0
|
|
C
|
B:LEU81
|
4.9
|
26.5
|
1.0
|
|
H
|
B:SER184
|
4.9
|
33.1
|
1.0
|
|
OD1
|
B:ASP82
|
5.0
|
27.4
|
1.0
|
|
Chlorine binding site 5 out
of 6 in 6q5f
Go back to
Chlorine Binding Sites List in 6q5f
Chlorine binding site 5 out
of 6 in the Oxa-48_P68A-Caz. Evolutionary Trade-Offs of Oxa-48 Mediated Ceftazidime-Avibactam Resistance
 Mono view
 Stereo pair view
|
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 5 of Oxa-48_P68A-Caz. Evolutionary Trade-Offs of Oxa-48 Mediated Ceftazidime-Avibactam Resistance within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Cl302
b:24.5
occ:1.00
|
HH12
|
C:ARG206
|
2.3
|
29.6
|
1.0
|
|
HH12
|
D:ARG206
|
2.4
|
29.2
|
1.0
|
|
HH22
|
C:ARG206
|
2.6
|
29.1
|
1.0
|
|
HH22
|
D:ARG206
|
2.6
|
29.2
|
1.0
|
|
HD22
|
D:LEU196
|
3.0
|
29.8
|
1.0
|
|
NH1
|
D:ARG206
|
3.1
|
24.3
|
1.0
|
|
NH1
|
C:ARG206
|
3.1
|
24.7
|
1.0
|
|
NH2
|
C:ARG206
|
3.3
|
24.2
|
1.0
|
|
NH2
|
D:ARG206
|
3.3
|
24.4
|
1.0
|
|
HA
|
D:GLN193
|
3.4
|
29.9
|
1.0
|
|
HG3
|
D:GLN193
|
3.4
|
29.9
|
1.0
|
|
HD22
|
C:LEU196
|
3.4
|
29.5
|
1.0
|
|
HG3
|
C:GLN193
|
3.4
|
30.2
|
1.0
|
|
HA
|
C:GLN193
|
3.6
|
30.0
|
1.0
|
|
CZ
|
D:ARG206
|
3.6
|
24.7
|
1.0
|
|
CZ
|
C:ARG206
|
3.6
|
24.5
|
1.0
|
|
HH11
|
D:ARG206
|
3.7
|
29.2
|
1.0
|
|
HH11
|
C:ARG206
|
3.8
|
29.6
|
1.0
|
|
CD2
|
D:LEU196
|
4.0
|
24.8
|
1.0
|
|
HH21
|
C:ARG206
|
4.0
|
29.1
|
1.0
|
|
HH21
|
D:ARG206
|
4.0
|
29.2
|
1.0
|
|
HB2
|
C:LEU196
|
4.1
|
30.0
|
1.0
|
|
HB2
|
D:LEU196
|
4.1
|
29.2
|
1.0
|
|
CG
|
C:GLN193
|
4.2
|
25.2
|
1.0
|
|
HG2
|
C:GLN193
|
4.3
|
30.2
|
1.0
|
|
HD13
|
C:LEU196
|
4.3
|
29.5
|
1.0
|
|
CA
|
D:GLN193
|
4.3
|
24.9
|
1.0
|
|
CG
|
D:GLN193
|
4.3
|
24.9
|
1.0
|
|
HD23
|
D:LEU196
|
4.3
|
29.8
|
1.0
|
|
HD13
|
D:LEU196
|
4.3
|
28.3
|
1.0
|
|
HD21
|
D:LEU196
|
4.3
|
29.8
|
1.0
|
|
CD2
|
C:LEU196
|
4.4
|
24.6
|
1.0
|
|
HB2
|
D:GLN193
|
4.4
|
30.7
|
1.0
|
|
CA
|
C:GLN193
|
4.5
|
25.0
|
1.0
|
|
CB
|
D:GLN193
|
4.6
|
25.6
|
1.0
|
|
HG2
|
D:GLN193
|
4.6
|
29.9
|
1.0
|
|
HD23
|
C:LEU196
|
4.8
|
29.5
|
1.0
|
|
CB
|
C:GLN193
|
4.8
|
25.3
|
1.0
|
|
HB2
|
C:GLN193
|
4.8
|
30.4
|
1.0
|
|
HD21
|
C:LEU196
|
4.9
|
29.5
|
1.0
|
|
CG
|
D:LEU196
|
4.9
|
23.8
|
1.0
|
|
NE
|
D:ARG206
|
4.9
|
24.8
|
1.0
|
|
CB
|
D:LEU196
|
4.9
|
24.4
|
1.0
|
|
CB
|
C:LEU196
|
4.9
|
25.0
|
1.0
|
|
O
|
D:GLN193
|
4.9
|
25.2
|
1.0
|
|
NE
|
C:ARG206
|
5.0
|
24.9
|
1.0
|
|
Chlorine binding site 6 out
of 6 in 6q5f
Go back to
Chlorine Binding Sites List in 6q5f
Chlorine binding site 6 out
of 6 in the Oxa-48_P68A-Caz. Evolutionary Trade-Offs of Oxa-48 Mediated Ceftazidime-Avibactam Resistance
 Mono view
 Stereo pair view
|
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 6 of Oxa-48_P68A-Caz. Evolutionary Trade-Offs of Oxa-48 Mediated Ceftazidime-Avibactam Resistance within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Cl301
b:33.5
occ:1.00
|
HD22
|
D:ASN76
|
2.0
|
34.3
|
1.0
|
|
HD2
|
D:PHE72
|
2.6
|
32.5
|
1.0
|
|
ND2
|
D:ASN76
|
2.8
|
28.6
|
1.0
|
|
HB3
|
D:TYR123
|
2.9
|
35.8
|
1.0
|
|
OQ2
|
D:KCX73
|
3.0
|
28.2
|
1.0
|
|
HG3
|
D:KCX73
|
3.1
|
33.9
|
1.0
|
|
HB2
|
D:ASN76
|
3.2
|
33.6
|
1.0
|
|
HA
|
D:KCX73
|
3.2
|
33.2
|
1.0
|
|
HD21
|
D:ASN76
|
3.3
|
34.3
|
1.0
|
|
HD2
|
D:TYR123
|
3.3
|
35.0
|
1.0
|
|
CE2
|
D:TRP157
|
3.4
|
29.2
|
1.0
|
|
HG2
|
D:KCX73
|
3.5
|
33.9
|
1.0
|
|
HB3
|
D:PHE72
|
3.5
|
32.8
|
1.0
|
|
CD2
|
D:PHE72
|
3.5
|
27.1
|
1.0
|
|
HB3
|
D:ASN76
|
3.5
|
33.6
|
1.0
|
|
NE1
|
D:TRP157
|
3.5
|
28.5
|
1.0
|
|
CB
|
D:ASN76
|
3.6
|
28.0
|
1.0
|
|
CG
|
D:ASN76
|
3.6
|
28.4
|
1.0
|
|
CZ2
|
D:TRP157
|
3.6
|
29.7
|
1.0
|
|
HE1
|
D:TRP157
|
3.7
|
34.2
|
1.0
|
|
CB
|
D:TYR123
|
3.7
|
29.9
|
1.0
|
|
CG
|
D:KCX73
|
3.7
|
28.2
|
1.0
|
|
HZ2
|
D:TRP157
|
3.8
|
35.7
|
1.0
|
|
N
|
D:KCX73
|
3.8
|
26.7
|
1.0
|
|
HB2
|
D:TYR123
|
3.8
|
35.8
|
1.0
|
|
CD2
|
D:TRP157
|
3.9
|
29.0
|
1.0
|
|
CD2
|
D:TYR123
|
3.9
|
29.2
|
1.0
|
|
C
|
D:PHE72
|
3.9
|
26.8
|
1.0
|
|
CA
|
D:KCX73
|
3.9
|
27.7
|
1.0
|
|
O
|
D:PHE72
|
3.9
|
26.5
|
1.0
|
|
CD1
|
D:TRP157
|
4.0
|
28.0
|
1.0
|
|
CX
|
D:KCX73
|
4.1
|
28.6
|
1.0
|
|
CG
|
D:TYR123
|
4.1
|
29.1
|
1.0
|
|
H
|
D:KCX73
|
4.1
|
32.1
|
1.0
|
|
HE2
|
D:PHE72
|
4.2
|
32.8
|
1.0
|
|
CH2
|
D:TRP157
|
4.2
|
29.6
|
1.0
|
|
CB
|
D:PHE72
|
4.2
|
27.3
|
1.0
|
|
CG
|
D:TRP157
|
4.2
|
28.7
|
1.0
|
|
HE2
|
D:KCX73
|
4.3
|
34.5
|
1.0
|
|
CG
|
D:PHE72
|
4.3
|
27.2
|
1.0
|
|
CE2
|
D:PHE72
|
4.3
|
27.3
|
1.0
|
|
CB
|
D:KCX73
|
4.4
|
27.6
|
1.0
|
|
CE3
|
D:TRP157
|
4.5
|
29.1
|
1.0
|
|
HD1
|
D:TRP157
|
4.6
|
33.6
|
1.0
|
|
CZ3
|
D:TRP157
|
4.6
|
29.5
|
1.0
|
|
CA
|
D:PHE72
|
4.7
|
26.9
|
1.0
|
|
HA
|
D:SER70
|
4.7
|
33.1
|
1.0
|
|
HH2
|
D:TRP157
|
4.7
|
35.5
|
1.0
|
|
OQ1
|
D:KCX73
|
4.8
|
27.8
|
1.0
|
|
O
|
D:TYR123
|
4.8
|
30.6
|
1.0
|
|
OD1
|
D:ASN76
|
4.8
|
28.4
|
1.0
|
|
HB2
|
D:KCX73
|
4.8
|
33.1
|
1.0
|
|
CE
|
D:KCX73
|
4.8
|
28.7
|
1.0
|
|
NZ
|
D:KCX73
|
4.9
|
29.4
|
1.0
|
|
CD
|
D:KCX73
|
4.9
|
28.4
|
1.0
|
|
CE2
|
D:TYR123
|
4.9
|
29.2
|
1.0
|
|
CA
|
D:TYR123
|
4.9
|
29.8
|
1.0
|
|
C
|
D:TYR123
|
5.0
|
30.2
|
1.0
|
|
Reference:
C.Frohlich,
V.Sorum,
A.M.Thomassen,
P.J.Johnsen,
H.S.Leiros,
O.Samuelsen.
Oxa-48-Mediated Ceftazidime-Avibactam Resistance Is Associated with Evolutionary Trade-Offs. Msphere V. 4 2019.
ISSN: ESSN 2379-5042
PubMed: 30918055
DOI: 10.1128/MSPHERE.00024-19
Page generated: Mon Jul 29 13:46:05 2024
|
