Structure of PDB 1rrv Chain A Binding Site BS03

Receptor Information
>1rrv Chain A (length=401) Species: 31958 (Amycolatopsis orientalis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MRVLLSVCGTRGDVEIGVALADRLKALGVQTRMCAPPAAEERLAEVGVPH
VPVGLPQHMMLQEGMPPPPPEEEQRLAAMTVEMQFDAVPGAAEGCAAVVA
VGDLAAATGVRSVAEKLGLPFFYSVPSPVYLASPHLPPAYDEPTTPGVTD
IRVLWEERAARFADRYGPTLNRRRAEIGLPPVEDVFGYGHGERPLLAADP
VLAPLQPDVDAVQTGAWLLSDERPLPPELEAFLAAGSPPVHIGFGSSSGR
GIADAAKVAVEAIRAQGRRVILSRGWTELVLPDDRDDCFAIDEVNFQALF
RRVAAVIHHGSAGTEHVATRAGVPQLVIPRNTDQPYFAGRVAALGIGVAH
DGPTPTFESLSAALTTVLAPETRARAEAVAGMVLTDGAAAAADLVLAAVG
R
Ligand information
Ligand IDBGC
InChIInChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1
InChIKeyWQZGKKKJIJFFOK-VFUOTHLCSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6C(C1C(C(C(C(O1)O)O)O)O)O
CACTVS 3.370OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O
CACTVS 3.370OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.7.6C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O
ACDLabs 12.01OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namebeta-D-glucopyranose;
beta-D-glucose;
D-glucose;
glucose
ChEMBLCHEMBL1614854
DrugBankDB02379
ZINCZINC000003833800
PDB chain1rrv Chain C Residue 8 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB1rrv Crystal Structure of Vancosaminyltransferase Gtfd from the Vancomycin Biosynthetic Pathway: Interactions with Acceptor and Nucleotide Ligands
Resolution2.0 Å
Binding residue
(original residue number in PDB)		D13 G102 D103
Binding residue
(residue number reindexed from 1)		D13 G102 D103
Annotation score1
Enzymatic activity
Enzyme Commision number 2.4.1.322: devancosaminyl-vancomycin vancosaminetransferase.
Gene Ontology
Molecular Function
GO:0008194 UDP-glycosyltransferase activity
GO:0016757 glycosyltransferase activity
GO:0016758 hexosyltransferase activity
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0017000 antibiotic biosynthetic process
GO:0030259 lipid glycosylation
GO:0033072 vancomycin biosynthetic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:1rrv, PDBe:1rrv, PDBj:1rrv
PDBsum1rrv
PubMed15122882
UniProtQ9AFC7|GTFD_AMYOR Devancosaminyl-vancomycin vancosaminetransferase (Gene Name=gtfD)

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