Structure of PDB 5e2f Chain A Binding Site BS01

Receptor Information
>5e2f Chain A (length=237) Species: 224308 (Bacillus subtilis subsp. subtilis str. 168) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HLNVSKMNVDDEFKDTDGTFILHDLQKDQTFVYNRKRANQRQTPQSTFKV
VNALIGLQVKAVRDEYDVKRWDGVKREFESWNRDHTLGSAMRESAIWYYQ
ALARDIGEERMKTWLHTLSYGNEDISGGIDQFWLQSSLTISPLEQETFLE
KLAKEELPFDKPVMKIVKRMMIQEEGDHYTLYGKTGTRLTDMGLGWFVGF
IKTEHGSYVFVTNVDDSGTKAKNITVDILKKYGLITS
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain5e2f Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5e2f Crystal Structure of Beta-lactamase class D from Bacillus subtilis
Resolution1.3 Å
Binding residue
(original residue number in PDB)		D41 E42
Binding residue
(residue number reindexed from 1)		D11 E12
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) S76 K79 S124 Y129 W163 T217
Catalytic site (residue number reindexed from 1) S46 K49 S94 Y99 W133 T187
Enzyme Commision number 3.5.2.6: beta-lactamase.
Gene Ontology
Molecular Function
GO:0008658 penicillin binding
GO:0008800 beta-lactamase activity
Biological Process
GO:0017001 antibiotic catabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:5e2f, PDBe:5e2f, PDBj:5e2f
PDBsum5e2f
PubMed
UniProtP54427|YBXI_BACSU Probable beta-lactamase YbxI (Gene Name=ybxI)

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