Structure of PDB 8vh8 Chain A Binding Site BS03

Receptor Information
>8vh8 Chain A (length=525) Species: 747 (Pasteurella multocida) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TTSITDLYNEVAKSDLGLVANPLVSIIMTSHNTAQFIEASINSLLLQTYK
NIEIIIVDDDSSDNTFEIASRIANTTSKVRVFRLNSNLGTYFAKNTGILK
SKGDIIFFQDSDDVCHHERIERCVNILLANKETIAVRCAYSRLAPETQHI
IKVNNMDYRLGFITLGMHRKVFQEIGFFNCTTKGSDDEFFHRIAKYYGKE
KIKNLLLPLYYNTMRENSLFTDMVEWIDNHNIIQKMSDTRQHYATLFQAM
HNETASHDFKNLFQFPRIYDALPVPQEMSKLSNPKIPVYINICSIPSRIA
QLRRIIGILKNQCDHFHIYLDGYVEIPDFIKNLGNKATVVHCKDKDNSIR
DNGKFILLEELIEKNQDGYYITCDDDIIYPSDYINTMIKKLNEYDDKAVI
GLHGILFPSRSADRLVYSFYKPLEKDKAVNVLGTGTVSFRVSLFNQFSLS
DFTHSGMADIYFSLLCKKNNILQICISRPANWLTEDNRDSNDEQQTQLIM
ENGPWGYSSIYPLVKNHPKFTDLIP
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 chain8vh8 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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PDB8vh8 Structural and Functional Analysis of Heparosan Synthase 2 from Pasteurella multocida to Improve the Synthesis of Heparin
Resolution2.85 Å
Binding residue
(original residue number in PDB)		T134 S135 H136 D164 T195 D215 S216 D217 R247 S323 L324 F325
Binding residue
(residue number reindexed from 1)		T29 S30 H31 D59 T90 D110 S111 D112 R142 S218 L219 F220
Annotation score4
External links