Structure of PDB 3wbh Chain B Binding Site BS02

Receptor Information
>3wbh Chain B (length=497) Species: 195704 (Halomonas sp. #593) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EVKNVILMIGDGMGPQQVGLLETYANQAPDSIYDGEPTAFHQLAKEGVVG
FSLTHPEDAVVVDSACSATQLASGIYSGSEVIGIDAEGNPVETVLELAQA
RGKATGLVSDTRLTHATPAAFAAHQPHRSLENEIAVDMLEVGPDVMLSGG
LRHWVPQSASEDAEVTSLMDGAYEPASKRQDDRNLLAEAVEKGYGLAFSR
EQLEADQSDKLLGLFANSGMADGIEYRNTRDDADRREPTLHEMTQAALNR
LEQDEDGFFLMVEGGQIDWAGHSNDAGTMLNEMVKFEEAVQGVYDWAKGR
EDTVILVTADHETGAFGLSYSSADLPEPQSKSGPAFAERDYAPNFNFGDF
ALLDSLYHQKASFSTLLSEFGALEEEQRTPARLMEMVNANSDFQIDEEQA
EAVLADKPNPYHVEGHSYLEAEEVPAIQDFDAFYPYNDRGNVLGRVLGTA
QNVVWGTGTHTHTPVNVFAWGPAETILPVSSIQHHSEVGQYLKSLVE
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain3wbh Chain B Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB3wbh Structural characteristics of alkaline phosphatase from the moderately halophilic bacterium Halomonas sp. 593.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		D12 T118 E264
Binding residue
(residue number reindexed from 1)		D11 T117 E263
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D12 S65 H116 T118 R129 E264 D269 W270 H273 D311 H312 H461
Catalytic site (residue number reindexed from 1) D11 S64 H115 T117 R128 E263 D268 W269 H272 D310 H311 H460
Enzyme Commision number 3.1.3.1: alkaline phosphatase.
Gene Ontology
Molecular Function
GO:0016791 phosphatase activity

View graph for
Molecular Function
External links
PDB RCSB:3wbh, PDBe:3wbh, PDBj:3wbh
PDBsum3wbh
PubMed24598750
UniProtB5BP20

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