Structure of PDB 6ogo Chain A Binding Site BS01
Receptor Information
>6ogo Chain A (length=229) Species:
562
(Escherichia coli) [
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TGDQRFGDLVFRQLAPNVWQHTSYLDMPGFGAVASNGLIVRDGGRVLVVD
TAWTDDQTAQILNWIKQEINLPVALAVVTHAHQDKMGGMDALHAAGIATY
ANALSNQLAPQKGMVAAQHSLTFAANGWVEPATAPNFGPLKVFYPGPGHT
SDNITVGIDGTDIAFGGCLIKDSKAKSLGNLGDADTEHYAASARAFGAAF
PKASMIVMSHSAPDSRAAITHTARMADKL
Ligand information
Ligand ID
ZN
InChI
InChI=1S/Zn/q+2
InChIKey
PTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
Software
SMILES
CACTVS 3.341
[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0
[Zn+2]
Formula
Zn
Name
ZINC ION
ChEMBL
CHEMBL1236970
DrugBank
DB14532
ZINC
PDB chain
6ogo Chain A Residue 301 [
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Receptor-Ligand Complex Structure
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PDB
6ogo
Flexible loops of New Delhi metallo-beta-lactamase modulate its activity towards different substrates.
Resolution
1.43 Å
Binding residue
(original residue number in PDB)
H120 H122 H189
Binding residue
(residue number reindexed from 1)
H80 H82 H149
Annotation score
1
Enzymatic activity
Catalytic site (original residue number in PDB)
H120 H122 D124 H189 C208 K211 N220 H250
Catalytic site (residue number reindexed from 1)
H80 H82 D84 H149 C168 K171 N180 H210
Enzyme Commision number
3.5.2.6
: beta-lactamase.
Gene Ontology
Molecular Function
GO:0016787
hydrolase activity
GO:0046872
metal ion binding
Biological Process
GO:0017001
antibiotic catabolic process
View graph for
Molecular Function
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Biological Process
External links
PDB
RCSB:6ogo
,
PDBe:6ogo
,
PDBj:6ogo
PDBsum
6ogo
PubMed
32353499
UniProt
A0A1M2CSI6
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