Structure of PDB 8p0q Chain B Binding Site BS02

Receptor Information
>8p0q Chain B (length=617) Species: 732 (Aggregatibacter aphrophilus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MSRKKNPSVIQFEKAITEKNYEAACTELLDILNKIDTNFGDIEGIDFDYP
QQLETLMQDRIVYFCTRMSNAITQLFCDPQFSLSESGANRFFVVQRWLNL
IFASSPYINADHILQTYNCNPERDSIYDIYLEPNKNVLMKFAVLYLPESN
VNLNLDTMWETDKNICGSLCFALQSPRFIGTPAAFSKRSTILQWFPAKLE
QFHVLDDLPSNISHDVYMHCSYDTAENKHNVKKALNQVIRSHLLKCGWQD
RQITQIGMRNGKPVMVVVLEHFHSSHSIYRTHSTSMIAAREQFYLIGLGN
NAVDQAGRDVFDEFHEFDGSNILKKLAFLKEMCEKNDAAVLYMPSIGMDL
ATIFVSNARFAPIQVIALGHPATTHSEFIEYVIVEDDYVGSESCFSETLL
RLPKDALPYVPSSLAPTDVQYVLRETPEVVNIGIAATTMKLNPYFLETLK
TIRDRAKVKVHFHFALGQSIGITHPYVARFIRSYLGDDATAHPHSPYNRY
LDILHNCDMMLNPFPFGNTNGIIDMVTLGLVGVCKTGPEVHEHIDEGLFK
RLGLPEWLIADSVEDYIERAIRLAENHQERLALRRHIIENNGLKTLFSGD
PSPMGKTLFAKLTEWRQ
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 chain8p0q Chain B Residue 701 [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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PDB8p0q Molecular basis for bacterial N-glycosylation by a soluble HMW1C-like N-glycosyltransferase.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		K440 S495 Y497 Y500 N518 T519 N520 G521 D524
Binding residue
(residue number reindexed from 1)		K440 S495 Y497 Y500 N518 T519 N520 G521 D524
Annotation score4
External links