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Structure of PDB 3s4x Chain A Binding Site BS02

Receptor Information
>3s4x Chain A (length=367) Species: 550 (Enterobacter cloacae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TPVSEKQLAEVVANTVTPLMKAQSVPGMAVAVIYQGKPHYYTFGKADIAA
NKPVTPQTLFELGSISKTFTGVLGGDAIARGEISLDDPVTRYWPQLTGKQ
WQGIRMLDLATYTAGGLPLQVPDEVTDNASLLRFYQNWQPQWKPGTTRLY
AGASIGLFGALAVKPSGMPYEQAMTTRVLKPLKLDHTWINVPKAEEAHYA
WGYRDGKAVRVSPGMLDAQAYGVKTNVQDMANWVMANMAPENVADASLKQ
GIALAQSRYWRIGSMYQGLGWEMLNWPVEANTVVEGSDSKVALAPLPVVE
VNPPAPPVKASWVHKTGSTGGFGSYVAFIPEKQIGIVMLANTSYPNPARV
EAAYHILEALQHHHHHH
Ligand information
Ligand IDSO4
InChIInChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-2
InChIKeyQAOWNCQODCNURD-UHFFFAOYSA-L
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0[O-]S(=O)(=O)[O-]
CACTVS 3.341[O-][S]([O-])(=O)=O
ACDLabs 10.04[O-]S([O-])(=O)=O
FormulaO4 S
NameSULFATE ION
ChEMBL
DrugBankDB14546
ZINC
PDB chain3s4x Chain A Residue 373 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3s4x Structural analysis of the Asn152Gly mutant of P99 cephalosporinase.
Resolution1.95 Å
Binding residue
(original residue number in PDB)		S64 Y150 T316 G317
Binding residue
(residue number reindexed from 1)		S64 Y150 T316 G317
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) S64 K67 Y112 V121 Y150 G156 E272 K315 S318
Catalytic site (residue number reindexed from 1) S64 K67 Y112 V121 Y150 G156 E272 K315 S318
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
GO:0042597 periplasmic space

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3s4x, PDBe:3s4x, PDBj:3s4x
PDBsum3s4x
PubMed22948919
UniProtP05364|AMPC_ENTCL Beta-lactamase (Gene Name=ampC)

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