Structure of PDB 8viw Chain A Binding Site BS05

Receptor Information
>8viw Chain A (length=545) Species: 747 (Pasteurella multocida) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TTSITDLYNEVAKSDLGLANPLVSIIMTSHNTAQFIEASINSLLLQTYKN
IEIIIVDDDSSDNTFEIASRIANTTSKVRVFRLNSNLGTYFAKNTGILKS
KGDIIFFQDSDDVCHHERIERCVNILLANKETIAVRCAYSRLAPETQHII
KVNNMDYRLGFITLGMHRKVFQEIGFFNCTTKGSDDEFFHRIAKYYGKEK
IKNLLLPLYYNTMRENSLFTDMVEWIDNHNIIQKMSDTRQHYATLFQAMH
NETASHDFKNLFQFPRIYDALPVPQEMSKLSNPKIPVYINICSIPSRIAQ
LRRIIGILKNQCDHFHIYLDGYVEIPDFIKNLGNKATVVHCKDKDNSIRD
NGKFILLEELIEKNQDGYYITCDDDIIYPSDYINTMIKKLNEYDDKAVIG
LHGILFPSRMTKYFSADRLVYSFYKPLEKDKAVNVLGTGTVSFRVSLFNQ
FSLSDFTHSGMADIYFSLLCKKNNILQICISRPANWLTEDNRDSETLYHQ
YRDNDEQQTQLIMENGPWGYSSIYPLVKNHPKFTDLIPCLPFYFL
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 chain8viw Chain A Residue 702 [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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PDB8viw Structural and Functional Analysis of Heparosan Synthase 2 from Pasteurella multocida to Improve the Synthesis of Heparin
Resolution3.3 Å
Binding residue
(original residue number in PDB)		C398 I400 R403 D426 R455 D479 D480 D481 T602 L603 Y604
Binding residue
(residue number reindexed from 1)		C292 I294 R297 D320 R349 D373 D374 D375 T496 L497 Y498
Annotation score4
External links