Structure of PDB 8viw Chain C Binding Site BS04

Receptor Information
>8viw Chain C (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 IDGNS
InChIInChI=1S/C6H13NO8S/c8-1-2-4(9)5(10)3(6(11)15-2)7-16(12,13)14/h2-11H,1H2,(H,12,13,14)/t2-,3-,4-,5-,6+/m1/s1
InChIKeyPRDZVHCOEWJPOB-UKFBFLRUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.2C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)NS(=O)(=O)O)O)O)O
ACDLabs 12.01O=S(=O)(O)NC1C(O)C(O)C(OC1O)CO
CACTVS 3.370OC[C@H]1O[C@H](O)[C@H](N[S](O)(=O)=O)[C@@H](O)[C@@H]1O
OpenEye OEToolkits 1.7.2C(C1C(C(C(C(O1)O)NS(=O)(=O)O)O)O)O
CACTVS 3.370OC[CH]1O[CH](O)[CH](N[S](O)(=O)=O)[CH](O)[CH]1O
FormulaC6 H13 N O8 S
Name2-deoxy-2-(sulfoamino)-alpha-D-glucopyranose;
N-SULFO-ALPHA-D-GLUCOSAMINE;
2-deoxy-2-(sulfoamino)-alpha-D-glucose;
2-deoxy-2-(sulfoamino)-D-glucose;
2-deoxy-2-(sulfoamino)-glucose
ChEMBL
DrugBank
ZINCZINC000005830072
PDB chain8viw Chain H Residue 2 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
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)
T181 S182
Binding residue
(residue number reindexed from 1)
T75 S76
Annotation score1
External links