SuMo: A Tool for Protein Function Inference Based on 3D Structures Comparisons - Identification of Ligand Binding Site and Protein-Protein Interaction Area - page 17

Table 1.4 (continued)
Hit Id PDB Id SCF Count Sumo Score Header line of the PDB structure

17 3EQU 21 12.66 Crystal structure of penicillin-

binding protein 2 from
Neisseria gonorrhoeae

18 1YLZ 24 12.49 X-ray crystallographic structure

of CTX-M14 beta-lactamase
complexed with ceftazidime-
like boronic acid

19 1MWR 21 12.18 Structure of semet penicillin

binding protein 2a from
methicillin resistant
Staphylococcus aureus

20 2V2F 21 12.15 Crystal structure of PBP1A

from drug-resistant strain
5204 FROM Streptococcus
pneumoniae

21 1IYP 21 11.86 TOHO-1 beta-lactamase in

complex with cephalothin

22 1IYO 21 11.75 TOHO-1 beta-lactamase in

complex with cefotaxime

23 2JCI 20 11.40 Structural insights into the

catalytic mechanism and
the role of Streptococcus
pneumoniae PBP1B

24 1YLW 21 11.37 X-ray structure of CTX-M-16

beta-lactamase

25 2ZQA 19 11.33 Cefotaxime acyl-intermediate

structure of class a beta-lacta
TOHO-1 E166A/R274N/
R276N triple mutant

26 1YLY 22 11.31 X-RAY CRYSTALLOGRAPHIC

STRUCTURE OF CTX-M-9
BETA-LACTAMASE
COMPLEXED WITH
CEFTAZIDIME-LIKE
BORONIC ACID

27 2ZQC 18 10.94 Aztreonam acyl-intermediate

structure of class a beta-
lactam TOHO-1 E166A/
R274N/R276N triple mutant

28 2ZQ9 19 10.83 Cephalothin acyl-intermediate

structure of class a beta-
lactamase TOHO-1 triple
mutant

29 2FFF 19 10.80 Open form of a class a transpep-

tidase domain (PBP)
(continued)