Structure of PDB 5lca Chain A

Receptor sequence
>5lcaA (length=222) Species: 287 (Pseudomonas aeruginosa) [Search protein sequence]
IPVGEVRLYQIADGVWSHIATQSFDGAVYPSNGLIVRDGDELLLIDTAWG
AKNTAALLAEIEKQIGLPVTRAVSTHFHDDRVGGVDVLRAAGVATYASPS
TRRLAEVEGNEIPTHSLEGLSSSGDAVRFGPVELFYPGAAHSTDNLVVYV
PSASVLYGGCAIYELSRTSAGNVADADLAEWPTSIERIQQHYPEAQFVIP
GHGLPGGLDLLKHTTNVVKAHT
3D structure
PDB5lca NMR-filtered virtual screening leads to non-metal chelating metallo-beta-lactamase inhibitors.
ChainA
Resolution1.93 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) H114 H116 D118 H179 C198 Y201 N210 H240
Catalytic site (residue number reindexed from 1) H76 H78 D80 H141 C160 Y163 N172 H202
Enzyme Commision number 3.5.2.6: beta-lactamase.
Interaction with ligand
Site
#		 Ligand Ligand
chain		 Binding residues on receptor
(original residue number in PDB)		 Binding residues on receptor
(residue number reindexed from 1)		 Binding affinity
BS01 ZN A H114 H116 H179 H76 H78 H141
BS02 ZN A D118 C198 H240 D80 C160 H202
BS03 B06 A F62 H116 G209 N210 H240 F24 H78 G171 N172 H202 MOAD: ic50=32.8uM
PDBbind-CN: -logKd/Ki=4.48,IC50=32.8uM
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