Structure of PDB 2vqr Chain A Binding Site BS01

Receptor Information
>2vqr Chain A (length=512) Species: 216596 (Rhizobium johnstonii 3841) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KKNVLLIVVDQWRADFVPHVLRADGKIDFLKTPNLDRLCREGVTFRNHVT
TCVPAGPARASLLTGLYLMNHRAVQNTVPLDQRHLNLGKALRGVGYDPAL
IGYTTTVPDPRTTSPNDPRFRVLGDLMDGFHPVGAFEPNMEGYFGWVAQN
GFDLPEHRPDIWLPEGEDAVAGATDRPSRIPKEFSDSTFFTERALTYLKG
RDGKPFFLHLGYYRPHPPFVASAPYHAMYRPEDMPAPIRAANPDIEAAQH
PLMKFYVDSIRRGSFFQGAEGSGATLDEAELRQMRATYCGLITEVDDCLG
RVFSYLDETGQWDDTLIIFTSDHGEQLGDHHLLGKIGYNDPSFRIPLVIK
DAGENARAGAIESGFTESIDVMPTILDWLGGKIPHACDGLSLLPFLSEGR
PQDWRTELHYEYDFRDVYYSEPQSFLGLGMNDCSLCVIQDERYKYVHFAA
LPPLFFDLRHDPNEFTNLADDPAYAALVRDYAQKALSWRLKHADRTLTHY
RSGPEGLSERSH
Ligand information
Ligand IDMN
InChIInChI=1S/Mn/q+2
InChIKeyWAEMQWOKJMHJLA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mn+2]
CACTVS 3.341[Mn++]
FormulaMn
NameMANGANESE (II) ION
ChEMBL
DrugBankDB06757
ZINC
PDB chain2vqr Chain A Residue 1515 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2vqr A New Member of the Alkaline Phosphatase Superfamily with a Formylglycine Nucleophile: Structural and Kinetic Characterisation of a Phosphonate Monoester Hydrolase/Phosphodiesterase from Rhizobium Leguminosarum.
Resolution1.42 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 A57 R61 Y105 T107 H218 D324 H325 K337
Catalytic site (residue number reindexed from 1) D10 Q11 A55 R59 Y103 T105 H216 D322 H323 K335
Enzyme Commision number 3.1.3.-
3.1.4.-
Gene Ontology
Molecular Function
GO:0008484 sulfuric ester hydrolase activity
GO:0016787 hydrolase activity
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:2vqr, PDBe:2vqr, PDBj:2vqr
PDBsum2vqr
PubMed18793651
UniProtQ1M964|RLPMH_RHIJ3 Multifunctional alkaline phosphatase superfamily protein pRL90232 (Gene Name=pRL90232)

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