Structure of PDB 2dvu Chain D Binding Site BS02

Receptor Information
>2dvu Chain D (length=321) Species: 267998 (Rhizobium sp. MTP-10005) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MQGKVALEEHFAIPETLQDSVPGDYWKELQHRLLDIQDTRLKLMDAHGIE
TMILSLNAPAVQAIPDRRKAIEIARRANDVLAEECAKRPDRFLAFAALPL
QDPDAATEELQRCVNDLGFVGALVNGFSQEGDGQTPLYYDLPQYRPFWGE
VEKLDVPFYLHPRNPLPQDSRIYDGHPWLLGPTWAFAQETAVHALRLMAS
GLFDEHPRLNIILGHMGEGLPYMMWRIDHRNAWVKLPPRYPAKRRFMDYF
NENFHITTSGNFRTQTLIDAILEIGADRILFSTDWPFENIDHASDWFNAT
SIAEADRVKIGRTNARRLFKL
Ligand information
Ligand IDGRE
InChIInChI=1S/C7H6O4/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3,8-9H,(H,10,11)
InChIKeyAKEUNCKRJATALU-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)c1c(O)cccc1O
OpenEye OEToolkits 1.5.0c1cc(c(c(c1)O)C(=O)O)O
CACTVS 3.341OC(=O)c1c(O)cccc1O
FormulaC7 H6 O4
Name2,6-DIHYDROXYBENZOIC ACID
ChEMBLCHEMBL454808
DrugBank
ZINCZINC000000388545
PDB chain2dvu Chain D Residue 1514 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2dvu Crystal Structures of Nonoxidative Zn-Dependent 2,6-Dihydroxybenzoate (gamma-Resorcylate) Decarboxylase from Rhizobium sp. Strain MTP-10005
Resolution1.9 Å
Binding residue
(original residue number in PDB)		H164 F189 D287 F290
Binding residue
(residue number reindexed from 1)		H161 F186 D284 F287
Annotation score3
Enzymatic activity
Enzyme Commision number 4.1.1.103: gamma-resorcylate decarboxylase.
Gene Ontology
Molecular Function
GO:0016787 hydrolase activity
GO:0016831 carboxy-lyase activity
GO:0046872 metal ion binding
Biological Process
GO:0019748 secondary metabolic process
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2dvu, PDBe:2dvu, PDBj:2dvu
PDBsum2dvu
PubMed
UniProtQ60GU1|GRDC_RHIS5 Gamma-resorcylate decarboxylase (Gene Name=graF)

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