| GenBank Accession
Number/Name of
CTX-M
variant/Country of
isolation/Year |
[GenBank: FJ997864] /
CTX-M-15/India/2009
(This study) |
[GenBank: DQ268764]/
CTX-M-53/France/2009 |
[GenBank: FJ815436]/
CTX-M-
71/Bulgaria/2009 |
[GenBank: DQ256091]/
CTX-M-82/China/2009 |
[GenBank: FJ971899]/
CTX-M-
89/USA/2009 |
| PDB ID of the
template retrieved
for modeling |
[PDB:1IYSA] |
[PDB:1IYSA] |
[PDB:1WE4A] |
[PDB:1IYSA] |
[PDB:1IYSA] |
| Final total energy in
Kj/mol
(Modeling log) |
-14825.173 |
-14555.407 |
-14793.956 |
-14708.911 |
-14597.197 |
| Amino acid changes
present in the 2009
CTX-M sequences
considering the
GenBank accession
no. GQ339102
(Russia/2009/ CTX-M-
15) as a reference |
P88T, N89D |
A27V, A77V, R38Q,
T264I |
G238C |
A40P |
A77V,K83Q,S86T,E87Q,
P88K, N89G, N92S,K99P,
V103I, S118T, L119F,A120G,
V133T, V142L, A146D,S147K,
Q154T, L155I, E158D,S182T,
R184L, T189A, K197N,S202T,
T209M, M211L,
G240D, P269S,
Q270E, K285R,
S281A, L291Y |
| Docking with
clavulanate (All
energies are in
Kj/mol) |
E-total = -161.35
E-shape = -154.40
E-force = -6.95 |
E-total = -164.29
E-shape = -155.02
E-force = -9.26 |
E-total = -151.42
E-shape = -156.25
E-force = 4.83 |
E-total = -160.44
E-shape = -153.33
E-force = -7.11 |
E-total = -153.94
E-shape = -141.55
E-force = -12.39 |
| Docking with
sulbactam (All
energies are in
Kj/mol) |
E-total = -179.59
E-shape = -144.84
E-force = -34.75 |
E-total = -177.07
E-shape = -114.76
E-force = -62.31 |
E-total = -180.62
E-shape = -135.80
E-force = -44.82 |
E-total = -183.43
E-shape = -146.41
E-force = -37.02 |
E-total = -173.10
E-shape = -137.36
E-force = -35.75 |
| Docking with
tazobactam (All
energies are in
Kj/mol) |
E-total = -148.21
E-shape = -95.75
E-force = -52.46 |
E-total = -149.08
E-shape = -106.35
E-force = -42.73 |
E-total = -135.28
E-shape = -128.79
E-force = -6.49 |
E-total = -144.86
E-shape = -96.92
E-force = -47.94 |
E-total = -144.86
E-shape = -96.92
E-force = -47.94 |
