Structure of PDB 7nrj Chain CCC Binding Site BS01

Receptor Information
>7nrj Chain CCC (length=241) Species: 573 (Klebsiella pneumoniae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
WQENKSWNAHFTEHKSQGVVVLWNENKQQGFTNNLKRANQAFLPASTFKI
PNSLIALDLGVVKDEHQVFKWDGQTRDIATWNRDHNLITAMKYSVVPVYQ
EFARQIGEARMSKMLHAFDYGNEDISGNVDSFWLDGGIRISATEQISFLR
KLYHNKLHVSERSQRIVKQAMLTEANGDYIIRAKTGYSTRIEPKIGWWVG
WVELDDNVWFFAMNMDMPTSDGLGLRQAITKEVLKQEKIIP
Ligand information
Ligand ID1BO
InChIInChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3
InChIKeyLRHPLDYGYMQRHN-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341
OpenEye OEToolkits 1.5.0		CCCCO
ACDLabs 10.04OCCCC
FormulaC4 H10 O
Name1-BUTANOL;
BUTAN-1-OL
ChEMBLCHEMBL14245
DrugBankDB02145
ZINCZINC000001530354
PDB chain7nrj Chain CCC Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7nrj Crystal Structure of a Class D carbapenemase complexed with iodide
Resolution1.67 Å
Binding residue
(original residue number in PDB)		W95 D96
Binding residue
(residue number reindexed from 1)		W71 D72
Annotation score1
Enzymatic activity
Enzyme Commision number 3.5.2.6: beta-lactamase.
Gene Ontology
Molecular Function
GO:0008658 penicillin binding
GO:0008800 beta-lactamase activity
GO:0016787 hydrolase activity
Biological Process
GO:0017001 antibiotic catabolic process
GO:0046677 response to antibiotic
GO:0071555 cell wall organization

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Molecular Function
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Biological Process
External links
PDB RCSB:7nrj, PDBe:7nrj, PDBj:7nrj
PDBsum7nrj
PubMed
UniProtA0A482LRD5

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