Structure of PDB 8ila Chain B Binding Site BS01

Receptor Information
>8ila Chain B (length=429) Species: 1915 (Streptomyces lincolnensis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GRALAFVWLMVEGAQVAAGGVAGYVRNLLDEQDALRDHLAERGWSVEFVL
GEPFYDPGAPGYDEERWRRVREHLAARGGRAVRLVSDSDGLDGWGEERFF
HALSATGAQLVLDTAERCDAVVAVSGTSAFARVPGMVQRQGGELAAKVLH
VHTFGLATHDTAHVPSPAEIAADGDVAFWTRQSDRVSVGYISRYTAELYA
RTYAIPAAALLPNRSAIPRHAPRFGVLTEERINERIAGLGLPAEGEFVVM
WGRNSAPGLDKGYHLLLEAARDLPGVVPVIATRRPDPGLRRLADRYAVPA
VLLDDQPFTHLSALLQSPRTLAAAFLGEAEPGAVSPMEAMWVARESGALV
IAADTGNLPEVVDDGAAGIVTRRTAADVADAVRRVRKLTADERRRMRAAA
AARVRARFDFAANVRELADAAVDRLAEVS
Ligand information
Ligand IDGDP
InChIInChI=1S/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
InChIKeyQGWNDRXFNXRZMB-UUOKFMHZSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N
CACTVS 3.385NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
CACTVS 3.385NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 12.01O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O
OpenEye OEToolkits 1.7.6c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N
FormulaC10 H15 N5 O11 P2
NameGUANOSINE-5'-DIPHOSPHATE
ChEMBLCHEMBL384759
DrugBankDB04315
ZINCZINC000008215481
PDB chain8ila Chain B Residue 501 [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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PDB8ila Structural Basis of Low-Molecular-Weight Thiol Glycosylation in Lincomycin A Biosynthesis.
Resolution2.79 Å
Binding residue
(original residue number in PDB)		G27 R290 Q313 P314 F315 E337 V341 E345
Binding residue
(residue number reindexed from 1)		G20 R283 Q306 P307 F308 E330 V334 E338
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0016757 glycosyltransferase activity

View graph for
Molecular Function
External links
PDB RCSB:8ila, PDBe:8ila, PDBj:8ila
PDBsum8ila
PubMed37272735
UniProtA9Y8T1

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