Structure of PDB 4dxb Chain B Binding Site BS01

Receptor Information
>4dxb Chain B (length=636) Species: 562,83333 [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KIEEGKLVIWINGDKGYNGLAEVGKKFEKDTGIKVTVEHPDKLEEKFPQV
AATGDGPDIIFWAHDRFGGYAQSGLLAEITPDKAFQDKLYPFTWDAVRYN
GKLIAYPIAVEALSLIYNKDLLPNPPKTWEEIPALDKELKAKGKSALMFN
LQEPYFTWPLIAADGGYAFKYENGKYDIKDVGVDNAGAKAGLTFLVDLIK
NKHMNADTDYSIAEAAFNKGETAMTINGPWAWSNIDTSKVNYGVTVLPTF
KGQPSKPFVGVLSAGINAASPNKELAKEFLENYLLTDEGLEAVNKDKPLG
AVALKSYEEELAKDPRWFIADKSGAGERGSRGIIAALGPDGKPSRIVVIY
TTGSQATMDERNRQIAEIGASLIKHWGSGGGHPETLVKVKDAEDQLGARV
GYIELDLNSGKILESFRPEERFPMMSTFKVLLCGAVLSRIDAGQEQLGRR
IHYSQNDLVEYSPVTEKHLTDGMTVRELCSAAITMSDNTAANLLLTTIGG
PKELTAFLHNMGDHVTRLDRWEPELNEAIPNDERDTTMPVAMATTLRKLL
TGELLTLASRQQLIDWMEADKVAGPLLRSALPAGSATMENAQKGEIMPNI
PQMSAFWYAVRTAVINAASGRQTVDEALKDAQTRIT
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain4dxb Chain B Residue 701 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4dxb Structure of an Engineered beta-Lactamase Maltose Binding Protein Fusion Protein: Insights into Heterotropic Allosteric Regulation.
Resolution2.29 Å
Binding residue
(original residue number in PDB)		D164 H468
Binding residue
(residue number reindexed from 1)		D164 H468
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) S426 K429 S486 E522 N590 K593
Catalytic site (residue number reindexed from 1) S426 K429 S486 E522 N590 K593
Enzyme Commision number 3.5.2.6: beta-lactamase.
Gene Ontology
Molecular Function
GO:0008800 beta-lactamase activity
GO:0015144 carbohydrate transmembrane transporter activity
Biological Process
GO:0008643 carbohydrate transport
GO:0017001 antibiotic catabolic process
GO:0030655 beta-lactam antibiotic catabolic process
GO:0055085 transmembrane transport

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Molecular Function
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Biological Process
External links
PDB RCSB:4dxb, PDBe:4dxb, PDBj:4dxb
PDBsum4dxb
PubMed22720063
UniProtP0AEX9|MALE_ECOLI Maltose/maltodextrin-binding periplasmic protein (Gene Name=malE);
P62593|BLAT_ECOLX Beta-lactamase TEM (Gene Name=bla)

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