Structure of PDB 6tzh Chain C Binding Site BS02
Receptor Information
>6tzh Chain C (length=354) Species:
470
(Acinetobacter baumannii) [
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DQEIKKLVDQNFKPLLEKYDVPGMAVGVIQNNKKYEMYYGLQSVQDKKAV
NSNTIFELGSVSKLFTATAGGYAKNKGKISFDDTPGKYWKELKNTPIDQV
NLLQLATYTSGNLALQFPDEVQTDQQVLTFFKDWKPKNPIGEYRQYSNPS
IGLFGKVVALSMNKPFDQVLEKTIFPALGLKHSYVNVPKTQMQNYAFGYN
QENQPIRVNPGPLDAPAYGVKSTLPDMLSFIHANLNPQKYPTDIQRAINE
THQGRYQVNTMYQALGWEEFSYPATLQTLLDSNSEQIVMKPNKVTAISKE
PSVKMYHKTGSTSGFGTYVVFIPKENIGLVMLTNKRIPNEERIKAAYVVL
NAIK
Ligand information
Ligand ID
GLY
InChI
InChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)
InChIKey
DHMQDGOQFOQNFH-UHFFFAOYSA-N
SMILES
Software
SMILES
OpenEye OEToolkits 1.5.0
C(C(=O)O)N
CACTVS 3.341
NCC(O)=O
ACDLabs 10.04
O=C(O)CN
Formula
C2 H5 N O2
Name
GLYCINE
ChEMBL
CHEMBL773
DrugBank
DB00145
ZINC
ZINC000004658552
PDB chain
6tzh Chain C Residue 402 [
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Receptor-Ligand Complex Structure
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PDB
6tzh
1,2,3-Triazolylmethaneboronate: A Structure Activity Relationship Study of a Class of beta-Lactamase Inhibitors againstAcinetobacter baumanniiCephalosporinase.
Resolution
2.04 Å
Binding residue
(original residue number in PDB)
Y222 S317
Binding residue
(residue number reindexed from 1)
Y218 S313
Annotation score
1
Enzymatic activity
Catalytic site (original residue number in PDB)
S64 K67 Y150 E272 K312 S315
Catalytic site (residue number reindexed from 1)
S60 K63 Y146 E268 K308 S311
Enzyme Commision number
3.5.2.6
: beta-lactamase.
Gene Ontology
Molecular Function
GO:0008800
beta-lactamase activity
GO:0016787
hydrolase activity
Biological Process
GO:0017001
antibiotic catabolic process
GO:0046677
response to antibiotic
Cellular Component
GO:0030288
outer membrane-bounded periplasmic space
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Molecular Function
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Biological Process
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Cellular Component
External links
PDB
RCSB:6tzh
,
PDBe:6tzh
,
PDBj:6tzh
PDBsum
6tzh
PubMed
32502340
UniProt
Q6DRA1
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