Structure of PDB 8vh7 Chain A Binding Site BS03

Receptor Information
>8vh7 Chain A (length=522) Species: 747 (Pasteurella multocida) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TSITDLYNEVAKSDLGLVKNPLVSIIMTSHNTAQFIEASINSLLLQTYKN
IEIIIVDDDSSDNTFEIASRIANTTSKVRVFRLNSNLGTYFAKNTGILKS
KGDIIFFQDSDDVCHHERIERCVNILLANKETIAVRCAYSRLAPETQHII
KVNNMDYRLGFITLGMHRKVFQEIGFFNCTTKGSDDEFFHRIAKYYGKEK
IKNLLLPLYYNTMRENSLFTDMVEWIDNHNIIQKMSDTRQHYATLFQAMH
NETASHDFKNLFQFPRIYDALPVPQEMSKLSNPKIPVYINICSIPSRIAQ
LRRIIGILKNQCDHFHIYLDGYVEIPDFIKNLGNKATVVHCKDKDNSIRD
NGKFILLEELIEKNQDGYYITCDDDIIYPSDYINTMIKKLNEYDDKAVIG
LHGILFPSADRLVYSFYKPLEKDKAVNVLGTGTVSFRVSLFNQFSLSDFT
HSGMADIYFSLLCKKNNILQICISRPANWLTEDNRDSNDEQQTQLIMENG
PWGYSSIYPLVKNHPKFTDLIP
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 chain8vh7 Chain A Residue 704 [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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PDB8vh7 Structural and Functional Analysis of Heparosan Synthase 2 from Pasteurella multocida to Improve the Synthesis of Heparin
Resolution1.982 Å
Binding residue
(original residue number in PDB)		T134 H136 D164 T195 D215 S216 D217 R247 R320 S323 L324 F325
Binding residue
(residue number reindexed from 1)		T28 H30 D58 T89 D109 S110 D111 R141 R214 S217 L218 F219
Annotation score4
External links