Structure of PDB 4u4l Chain A

Receptor sequence
>4u4lA (length=229) Species: 573 (Klebsiella pneumoniae) [Search protein sequence]
METGDQRFGDLVFRQLAPNVWQHTSYLDMGAVASNGLIVRDGGRVLVVDT
AWTDDQTAQILNWIKQEINLPVALAVVTHAHQDKMGGMDALHAAGIATYA
NALSNQLAPQEGMVAAQHSLTFAANGWVEPATAPNFGPLKVFYPGPGHTS
DNITVGIDGTDIAFGGCLIKDSKAKSLGNLGDADTEHYAASARAFGAAFP
KASMIVMSHSAPDSRAAITHTARMADKLR
3D structure
PDB4u4l Crystal structure of the metallo-beta-lactamase NDM-1 in complex with a bisthiazolidine inhibitor
ChainA
Resolution1.9 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) H120 H122 D124 H189 C208 K211 N220 H250
Catalytic site (residue number reindexed from 1) H79 H81 D83 H148 C167 K170 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 H120 H122 H189 H79 H81 H148
BS02 ZN A D124 C208 H250 D83 C167 H209
BS03 3C7 A W93 H122 D124 H189 H250 W52 H81 D83 H148 H209
External links
PDB RCSB:4u4l, PDBe:4u4l, PDBj:4u4l
PDBsum4u4l
PubMed
UniProtC7C422|BLAN1_KLEPN Metallo-beta-lactamase type 2 (Gene Name=blaNDM-1)

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