Structure of PDB 4qqr Chain B Binding Site BS01

Receptor Information
>4qqr Chain B (length=268) Species: 3702 (Arabidopsis thaliana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SFNFLIYGKTGWIGGLLGKLCEAQGITYTYGSGRLQDRQSIVADIESVKP
SHVFNAAGVWCESHKVETIRTNVAGTLTLADICREKGLVLINYATGCIFE
YDSGHPLGSGIGFKEEDTPNFTGSFYSKTKAMVEELLKNYENVCTLRVRM
PISSDLTNPRNFITKIARYEKVVDIPNSMTILDELLPISIEMAKRNLTGI
YNFTNPGVVSHNEILEMYRDYIDPSFTWKNFTPRSNNELDATKLKTEFPE
LMSIKESLIKFVFEPNKK
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 chain4qqr Chain B Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4qqr Structural insight into nucleotide rhamnose synthase/epimerase-reductase from Arabidopsis thaliana
Resolution2.7 Å
Binding residue
(original residue number in PDB)		H123 D135
Binding residue
(residue number reindexed from 1)		H105 D117
Annotation score1
Enzymatic activity
Enzyme Commision number 1.1.1.133: dTDP-4-dehydrorhamnose reductase.
5.1.3.13: dTDP-4-dehydrorhamnose 3,5-epimerase.
Gene Ontology
Molecular Function
GO:0008830 dTDP-4-dehydrorhamnose 3,5-epimerase activity
GO:0008831 dTDP-4-dehydrorhamnose reductase activity
GO:0010489 UDP-4-keto-6-deoxy-glucose-3,5-epimerase activity
GO:0010490 UDP-4-keto-rhamnose-4-keto-reductase activity
GO:0016491 oxidoreductase activity
GO:0016853 isomerase activity
Biological Process
GO:0010253 UDP-rhamnose biosynthetic process
GO:0019305 dTDP-rhamnose biosynthetic process
GO:0071555 cell wall organization
Cellular Component
GO:0005886 plasma membrane
GO:0009506 plasmodesma

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4qqr, PDBe:4qqr, PDBj:4qqr
PDBsum4qqr
PubMed
UniProtQ9LQ04|RMLCD_ARATH Bifunctional dTDP-4-dehydrorhamnose 3,5-epimerase/dTDP-4-dehydrorhamnose reductase (Gene Name=NRS/ER)

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