Structure of PDB 3zk4 Chain B Binding Site BS03

Receptor Information
>3zk4 Chain B (length=571) Species: 3873 (Lupinus luteus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DEHAYIKATPNVLGFEGHYTEWVTLQYSNNKPSIDDWIGVFSPANFSAST
CPGENKMTNPPFLCSAPIKFQYANFSSHSYKDTGKGSLKLQLINQRSDFS
FALFTGGLTNPKLIAVSNKVSFVNPNAPVYPRLAQGKTWDEITVTWTSGY
DINDAEPFVEWGPKEGNLVKTPAGTLTFDRNTMCGAPARTVGWRDPGYIH
TSFLKELWPNREYTYKLGHRLFNGTTIWSKEYHFKASPYPGQSSVQRVVI
FGDMGKAEADGSNEYNNFQPGSLNTTKQIIQDLEDIDIVFHIGDLCYANG
YISQWDQFTAQIEPIASTVPYMTASGNHERDWPGTGSFYGNLDSGGECGV
PAQTMFFVPAENREKFWYSTDYGMFRFCIAHTELDWRKGTEQYEFIEKCL
ASVDRQKQPWLIFLAHRVLGYSSAGFYVQEGSFEEPMGREDLQHLWQKYK
VDIAMYGHVHNYERTCPIYQNVCTNKEKHNYKGNLNGTIHVVVGGGGASL
AEFAPINTTWSIFKDHDFGFVKLTAFDHSNLLLEYRKSSDGQVYDSFTIS
RDYRDILACSVDSCPTTTLAS
Ligand information
Ligand IDPO4
InChIInChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3
InChIKeyNBIIXXVUZAFLBC-UHFFFAOYSA-K
SMILES
SoftwareSMILES
CACTVS 3.341[O-][P]([O-])([O-])=O
ACDLabs 10.04[O-]P([O-])([O-])=O
OpenEye OEToolkits 1.5.0[O-]P(=O)([O-])[O-]
FormulaO4 P
NamePHOSPHATE ION
ChEMBL
DrugBankDB14523
ZINC
PDB chain3zk4 Chain B Residue 999 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3zk4 The Structure of a Purple Acid Phosphatase Involved in Plant Growth and Pathogen Defence Exhibits a Novel Immunoglobulin-Like Fold
Resolution1.65 Å
Binding residue
(original residue number in PDB)		D313 Y316 N346 H347 H477 H479
Binding residue
(residue number reindexed from 1)		D294 Y297 N327 H328 H458 H460
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D272 D313 Y316 N346 H347 H435 F445 Y446 H477 H479
Catalytic site (residue number reindexed from 1) D253 D294 Y297 N327 H328 H416 F426 Y427 H458 H460
Enzyme Commision number 3.1.3.2: acid phosphatase.
Gene Ontology
Molecular Function
GO:0003993 acid phosphatase activity
GO:0016787 hydrolase activity
GO:0046872 metal ion binding
Cellular Component
GO:0005576 extracellular region

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Molecular Function
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Cellular Component
External links
PDB RCSB:3zk4, PDBe:3zk4, PDBj:3zk4
PDBsum3zk4
PubMed25075326
UniProtQ8VX11

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