Structure of PDB 7ec3 Chain A Binding Site BS02

Receptor Information
>7ec3 Chain A (length=500) Species: 367830 (Staphylococcus aureus subsp. aureus USA300) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AMNYFVGNSLGVNLTGIEKAIINRLNLFKEMGRPAQCVFLSWNRYLYRNA
QNYITSSDYINMYDFFQEATYLERNEPFDWLSYWTDECHYTLKHVENSHD
FRIYDQERFLMYAHFQDPKYRILDYVNHFDSQRRKVKRDFYDVRGFLSCS
RILVDKQQTLCEFFYNPEGDTKLEKYFSYKDGKPEVQKIIVYYANKQYFF
NNETELGAFFIKQLYQHGDLFFSDRNVYTAPIFNLTPESIPVVAVLHSTH
IKNIDALDSSPFKNVYKAMFENLSRYRAIIVSTEQQKLDVEKRINHTIPV
VNIPVGYSETIDTPVQTLDQRSVKLISVARYSPEKQLHQQIELIKRLVSY
VPKIELHMYGFGSESKKLNELIQKYGLENHVYLRGFLSNLDQEYSDAYLS
LITSNMEGFSLALLESLAHGVPVISYDIKYGPNELITSDFNGYLITKNDE
DALFDKVKYVIDHPEVQQRLSKGSLAKAQQYSKASLIKQWDQFVRLILEH
Ligand information
Ligand IDUDP
InChIInChI=1S/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
InChIKeyXCCTYIAWTASOJW-XVFCMESISA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O
CACTVS 3.370O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(=O)O[P](O)(O)=O)N2C=CC(=O)NC2=O
CACTVS 3.370O[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO[P](O)(=O)O[P](O)(O)=O)N2C=CC(=O)NC2=O
OpenEye OEToolkits 1.7.0C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)O)O)O
ACDLabs 12.01O=P(O)(O)OP(=O)(O)OCC2OC(N1C(=O)NC(=O)C=C1)C(O)C2O
FormulaC9 H14 N2 O12 P2
NameURIDINE-5'-DIPHOSPHATE
ChEMBLCHEMBL130266
DrugBankDB03435
ZINCZINC000004490939
PDB chain7ec3 Chain A Residue 601 [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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PDB7ec3 Structural basis for SdgB- and SdgA-mediated glycosylation of staphylococcal adhesive proteins.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		G15 R329 K334 Y358 F385 L386 L410 A411 E414
Binding residue
(residue number reindexed from 1)		G16 R330 K335 Y359 F386 L387 L411 A412 E415
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0016757 glycosyltransferase activity
Cellular Component
GO:0005737 cytoplasm

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:7ec3, PDBe:7ec3, PDBj:7ec3
PDBsum7ec3
PubMed34726173
UniProtQ2G0L2

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