Structure of PDB 2w8s Chain A Binding Site BS02

Receptor Information
>2w8s Chain A (length=512) Species: 28094 (Trinickia caryophylli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RKNVLLIVVDQWRADFIPHLMRAEGREPFLKTPNLDRLCREGLTFRNHVT
TCVPGGPARASLLTGLYLMNHRAVQNTVPLDQRHLNLGKALRAIGYDPAL
IGYTTTTPDPRTTSARDPRFTVLGDIMDGFRSVGAFEPNMEGYFGWVAQN
GFELPENREDIWLPEGEHSVPGATDKPSRIPKEFSDSTFFTERALTYLKG
RDGKPFFLHLGYYRPHPPFVASAPYHAMYKAEDMPAPIRAENPDAEAAQH
PLMKHYIDHIRRGSFFHGAEGSGATLDEGEIRQMRATYCGLITEIDDCLG
RVFAYLDETGQWDDTLIIFTSDHGEQLGDHHLLGKIGYNAESFRIPLVIK
DAGQNRHAGQIEEGFSESIDVMPTILEWLGGETPRACDGRSLLPFLAEGK
PSDWRTELHYEFDFRDVFYDQPQNSVQLSQDDCSLCVIEDENYKYVHFAA
LPPLFFDLKADPHEFSNLAGDPAYAALVRDYAQKALSWRLSHADRTLTHY
RSSPQGLTTRNH
Ligand information
Ligand IDFE
InChIInChI=1S/Fe/q+3
InChIKeyVTLYFUHAOXGGBS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341
OpenEye OEToolkits 1.5.0		[Fe+3]
FormulaFe
NameFE (III) ION
ChEMBL
DrugBankDB13949
ZINC
PDB chain2w8s Chain A Residue 1516 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2w8s An Efficient, Multiply Promiscuous Hydrolase in the Alkaline Phosphatase Superfamily.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		D12 X57 D324 H325
Binding residue
(residue number reindexed from 1)		D10 X55 D322 H323
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) D12 Q13 G57 R61 Y105 T107 H218 D324 H325 K337
Catalytic site (residue number reindexed from 1) D10 Q11 G55 R59 Y103 T105 H216 D322 H323 K335
Enzyme Commision number 3.1.-.-
3.1.3.-
3.1.4.-
3.1.6.-
Gene Ontology
Molecular Function
GO:0008484 sulfuric ester hydrolase activity
GO:0016787 hydrolase activity
GO:0042802 identical protein binding
GO:0046872 metal ion binding
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Cellular Component
External links
PDB RCSB:2w8s, PDBe:2w8s, PDBj:2w8s
PDBsum2w8s
PubMed20133613
UniProtQ45087|BCPMH_TRICW Multifunctional alkaline phosphatase superfamily protein PehA (Gene Name=pehA)

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