High-resolution activity and inhibitor profiling of residue 105 in class A beta-lactamases
Radojkovic, M., Koene, S.F., Chikunova, A., Timmer, M., Natarajan, S.V., Ubbink, M.To be published.
Experimental Data Snapshot
Starting Model: experimental
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Entity ID: 1 | |||||
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Molecule | Chains | Sequence Length | Organism | Details | Image |
Beta-lactamase | 264 | Mycobacterium tuberculosis | Mutation(s): 1  Gene Names: blaC, blaA, BQ2027_MB2094C EC: 3.5.2.6 | ![]() | |
UniProt | |||||
Find proteins for P0A5I7 (Mycobacterium bovis (strain ATCC BAA-935 / AF2122/97)) Explore P0A5I7  Go to UniProtKB:  P0A5I7 | |||||
Entity Groups   | |||||
Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
UniProt Group | P0A5I7 | ||||
Sequence AnnotationsExpand | |||||
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Ligands 5 Unique | |||||
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ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
NXL (Subject of Investigation/LOI) Query on NXL | B [auth A] | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide C7 H13 N3 O6 S WJDGWXPPFHLLNL-RITPCOANSA-N | |||
PEG Query on PEG | C [auth A] | DI(HYDROXYETHYL)ETHER C4 H10 O3 MTHSVFCYNBDYFN-UHFFFAOYSA-N | |||
GOL Query on GOL | F [auth A] | GLYCEROL C3 H8 O3 PEDCQBHIVMGVHV-UHFFFAOYSA-N | |||
ZN Query on ZN | G [auth A], H [auth A] | ZINC ION Zn PTFCDOFLOPIGGS-UHFFFAOYSA-N | |||
ACT Query on ACT | D [auth A], E [auth A] | ACETATE ION C2 H3 O2 QTBSBXVTEAMEQO-UHFFFAOYSA-M |
Length ( ? ) | Angle ( ? ) |
---|---|
a = 110.66 | ¦Á = 90 |
b = 117.068 | ¦Â = 90 |
c = 51.061 | ¦Ã = 90 |
Software Name | Purpose |
---|---|
REFMAC | refinement |
XDS | data reduction |
Aimless | data scaling |
MOLREP | phasing |
Funding Organization | Location | Grant Number |
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Netherlands Organisation for Scientific Research (NWO) | Netherlands | -- |