Structure of PDB 2w8s Chain C Binding Site BS01

Receptor Information
>2w8s Chain C (length=513) Species: 28094 (Trinickia caryophylli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TRKNVLLIVVDQWRADFIPHLMRAEGREPFLKTPNLDRLCREGLTFRNHV
TTCVPGGPARASLLTGLYLMNHRAVQNTVPLDQRHLNLGKALRAIGYDPA
LIGYTTTTPDPRTTSARDPRFTVLGDIMDGFRSVGAFEPNMEGYFGWVAQ
NGFELPENREDIWLPEGEHSVPGATDKPSRIPKEFSDSTFFTERALTYLK
GRDGKPFFLHLGYYRPHPPFVASAPYHAMYKAEDMPAPIRAENPDAEAAQ
HPLMKHYIDHIRRGSFFHGAEGSGATLDEGEIRQMRATYCGLITEIDDCL
GRVFAYLDETGQWDDTLIIFTSDHGEQLGDHHLLGKIGYNAESFRIPLVI
KDAGQNRHAGQIEEGFSESIDVMPTILEWLGGETPRACDGRSLLPFLAEG
KPSDWRTELHYEFDFRDVFYDQPQNSVQLSQDDCSLCVIEDENYKYVHFA
ALPPLFFDLKADPHEFSNLAGDPAYAALVRDYAQKALSWRLSHADRTLTH
YRSSPQGLTTRNH
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 chain2w8s Chain C Residue 1515 [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)		D11 X56 D323 H324
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) D11 Q12 G56 R60 Y104 T106 H217 D323 H324 K336
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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