Structure of PDB 2h10 Chain A Binding Site BS01

Receptor Information
>2h10 Chain A (length=265) Species: 573 (Klebsiella pneumoniae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SPQPLEQIKLSESQLSGRVGMIEMDLASGRTLTAWRADERFPMVSTFKVV
LCGAVLARVDAGDEQLERKIHYRQQDLVDYSPVSEKHLADGMTVGELCAA
AITMSDNSAANLLLATVGGPAGLTAFLRQIGDNVTRLDRWATELNEALPG
DARDTTTPASMAATLRKLLTSQRLSARSQRQLLQWMVDDRVAGPLIRSVL
PAGWFIADKTGAGERGARGIVALLGPNNKAERIVVIYLRDTPASMAERNQ
QIAGIGAALIEHWQR
Ligand information
Ligand IDTBE
InChIInChI=1S/C10H14N4O5S/c1-10(20(18)19,7-14-5-4-12-13-14)8(9(16)17)11-3-2-6-15/h2-6,8,11,20H,7H2,1H3,(H,16,17)/b3-2-/t8-,10-/m0/s1
InChIKeyANZZKUOZZHRUQC-AARLMMRRSA-N
SMILES
SoftwareSMILES
CACTVS 3.341C[C](Cn1ccnn1)([CH](NC=CC=O)C(O)=O)[SH](=O)=O
OpenEye OEToolkits 1.5.0CC(Cn1ccnn1)(C(C(=O)O)NC=CC=O)S(=O)=O
OpenEye OEToolkits 1.5.0C[C@](Cn1ccnn1)([C@H](C(=O)O)N\C=C/C=O)S(=O)=O
CACTVS 3.341C[C@](Cn1ccnn1)([C@@H](N\C=C/C=O)C(O)=O)[SH](=O)=O
ACDLabs 10.04O=S(=O)C(Cn1nncc1)(C)C(C(=O)O)N/C=C\C=O
FormulaC10 H14 N4 O5 S
NameTAZOBACTAM INTERMEDIATE
ChEMBL
DrugBank
ZINCZINC000103557701
PDB chain2h10 Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2h10 Effect of the inhibitor-resistant M69V substitution on the structures and populations of trans-enamine beta-lactamase intermediates.
Resolution1.75 Å
Binding residue
(original residue number in PDB)		S70 Y105 G236 A237
Binding residue
(residue number reindexed from 1)		S45 Y80 G211 A212
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) S70 K73 S130 A166 K234 A237
Catalytic site (residue number reindexed from 1) S45 K48 S105 A141 K209 A212
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:0030655 beta-lactam antibiotic catabolic process
GO:0046677 response to antibiotic

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:2h10, PDBe:2h10, PDBj:2h10
PDBsum2h10
PubMed17002290
UniProtP0AD64|BLA1_KLEPN Beta-lactamase SHV-1 (Gene Name=bla)

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