Structure of PDB 8p0p Chain B Binding Site BS01

Receptor Information
>8p0p Chain B (length=622) Species: 732 (Aggregatibacter aphrophilus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GMSRKKNPSVIQFEKAITEKNYEAACTELLDILNKIDTNFGDIEGIDFDY
PQQLETLMQDRIVYFCTRMSNAITQLFCDPQFSLSESGANRFFVVQRWLN
LIFASSPYINADHILQTYNCNPERDSIYDIYLEPNKNVLMKFAVLYLPES
NVNLNLDTMWETDKNICGSLCFALQSPRFIGTPAAFSKRSTILQWFPAKL
EQFHVLDDLPSNISHDVYMHCSYDTAENKHNVKKALNQVIRSHLLKCGWQ
DRQITQIGMRNGKPVMVVVLEHFHSSHSIYRTHSTSMIAAREQFYLIGLG
NNAVDQAGRDVFDEFHEFDGSNILKKLAFLKEMCEKNDAAVLYMPSIGMD
LATIFVSNARFAPIQVIALGHPATTHSEFIEYVIVEDDYVGSESCFSETL
LRLPKDALPYVPSSLAPTDVQYVLRETPEVVNIGIAATTMKLNPYFLETL
KTIRDRAKVKVHFHFALGQSIGITHPYVARFIRSYLGDDATAHPHSPYNR
YLDILHNCDMMLNPFPFGNTNGIIDMVTLGLVGVCKTGPEVHEHIDEGLF
KRLGLPEWLIADSVEDYIERAIRLAENHQERLALRRHIIENNGLKTLFSG
DPSPMGKTLFAKLTEWRQTNGI
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 chain8p0p 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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PDB8p0p Molecular basis for bacterial N-glycosylation by a soluble HMW1C-like N-glycosyltransferase.
Resolution2.73 Å
Binding residue
(original residue number in PDB)		G467 H494 S495 Y497 Y500 N520 D524
Binding residue
(residue number reindexed from 1)		G468 H495 S496 Y498 Y501 N521 D525
Annotation score4
External links