Structure of PDB 2dvx Chain B Binding Site BS02

Receptor Information
>2dvx Chain B (length=324) Species: 267998 (Rhizobium sp. MTP-10005) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MQGKVALEEHFAIPETLQDSAGFVPGDYWKELQHRLLDIQDTRLKLMDAH
GIETMILSLNAPAVQAIPDRRKAIEIARRANDVLAEECAKRPDRFLAFAA
LPLQDPDAATEELQRCVNDLGFVGALVNGFSQEGDGQTPLYYDLPQYRPF
WGEVEKLDVPFYLHPRNPLPQDSRIYDGHPWLLGPTWAFAQETAVHALRL
MASGLFDEHPRLNIILGHMGEGLPYMMWRIDHRNAWVKLPPRYPAKRRFM
DYFNENFHITTSGNFRTQTLIDAILEIGADRILFSTDWPFENIDHASDWF
NATSIAEADRVKIGRTNARRLFKL
Ligand information
Ligand ID23A
InChIInChI=1S/C7H6O3/c8-4-5-2-1-3-6(9)7(5)10/h1-4,9-10H
InChIKeyIXWOUPGDGMCKGT-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=Cc1cccc(O)c1O
CACTVS 3.341Oc1cccc(C=O)c1O
OpenEye OEToolkits 1.5.0c1cc(c(c(c1)O)O)C=O
FormulaC7 H6 O3
Name2,3-DIHYDROXYBENZALDEHYDE
ChEMBLCHEMBL491995
DrugBank
ZINCZINC000000332561
PDB chain2dvx Chain B Residue 1512 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2dvx Crystal Structures of Nonoxidative Zn-Dependent 2,6-Dihydroxybenzoate (gamma-Resorcylate) Decarboxylase from Rhizobium sp. Strain MTP-10005
Resolution1.7 Å
Binding residue
(original residue number in PDB)		H10 F23 H164 P185 F189 D287 F290
Binding residue
(residue number reindexed from 1)		H10 F23 H164 P185 F189 D287 F290
Annotation score1
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:2dvx, PDBe:2dvx, PDBj:2dvx
PDBsum2dvx
PubMed
UniProtQ60GU1|GRDC_RHIS5 Gamma-resorcylate decarboxylase (Gene Name=graF)

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