Structure of PDB 5n55 Chain A

Receptor sequence
>5n55A (length=230) Species: 573 (Klebsiella pneumoniae) [Search protein sequence]
EYPTVNEIPVGEVRLYQIADGVWSHIATQSFDGAVYPSNGLIVRDGDELL
LIDTAWGAKNTAALLAEIEKQIGLPVTRAVSTHFHDDRVGGVDVLRKAGV
ATYASPSTRRLAEAEGNEIPTHSLEGLSSSGDAVRFGPVELFYPGAAHST
DNLVVYVPSANVLYGGCAVLALSRTSAGNVADADLAEWPTSVERIQKHYP
EAEVVIPGHGLPGGLDLLQHTANVVTAHKN
3D structure
PDB5n55 Crystallographic analyses of isoquinoline complexes reveal a new mode of metallo-beta-lactamase inhibition.
ChainA
Resolution1.99 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 L201 N210 H240
Catalytic site (residue number reindexed from 1) H83 H85 D87 H148 C167 L170 N179 H209
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 H83 H85 H148
BS02 8NN A F62 Y67 P68 W87 H116 D118 R205 G209 N210 H240 F31 Y36 P37 W56 H85 D87 R174 G178 N179 H209 MOAD: Kd=1.03uM
PDBbind-CN: -logKd/Ki=5.99,Kd=1.03uM
BS03 8NN A D63 G64 D32 G33 MOAD: Kd=1.03uM
PDBbind-CN: -logKd/Ki=5.99,Kd=1.03uM
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