Structure of PDB 8rmj Chain A Binding Site BS03

Receptor Information
>8rmj Chain A (length=616) Species: 7227 (Drosophila melanogaster) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NLYYEPPCCTGKEHVQDFSCGPLHYKTFYMDERNNALYVGAMDRIFRLNL
RNISQSICERDVLILEPTGSDILNCVSKGKREKVECRNHIRVIQPMNFNG
QKLYVCGTNAHNPKDYVINANLTHLPRSQYVPGIGLGIGKCPYDPADNST
AVYVENGNPFGLPALYAGTNAEFTKADSVIFRSDLYNLTNGRKEANFKRT
VKYDSKLLDKPNFVGSFEIGEFVYFFFREHAVEYINCGKAVYSRVARVCK
NDRGGKYMISQNWATYLKARMNCSISSEFPFYFNEIQSVYKMPTDDTKFY
ATFTTNTNGLIGSAVCSYDIRDINAAFDGKFKEQATSNSAWLPVLNSKVP
EPRPGTCHNDTATLPDSVLNFIRKHPLMDKAVDHEFGNPVFFKRDVILTK
LVVDKIRIDKLNQEFLVYFVATTSGHIYKIVQFMHYGQRHSNLVDIFEAS
PHSEPIREMTLSHKTGSLYVATDHQVKQIDIAMCARRYDSCFRCVSDPYC
GWDKDVNACRPYQLGLLQDVANETSGICDTSVLRKKVTSSYGQTLHLSCF
VKMPEVLRKKQTRWYHHSTEKGRYEVRYTPTKYIDTNEGGLVLLAVNEGD
GGRYDSYLDGTLLCSY
Ligand information
Ligand IDYYJ
InChIInChI=1S/C6H12O18S4/c7-6(2-21-26(11,12)13)5(24-28(17,18)19)4(23-27(14,15)16)3(22-6)1-20-25(8,9)10/h3-5,7H,1-2H2,(H,8,9,10)(H,11,12,13)(H,14,15,16)(H,17,18,19)/t3-,4-,5+,6-/m1/s1
InChIKeyUCVVRDOLNRDLDM-ARQDHWQXSA-N
SMILES
SoftwareSMILES
CACTVS 3.370O[C]1(CO[S](O)(=O)=O)O[CH](CO[S](O)(=O)=O)[CH](O[S](O)(=O)=O)[CH]1O[S](O)(=O)=O
OpenEye OEToolkits 1.7.6C(C1C(C(C(O1)(COS(=O)(=O)O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O
ACDLabs 12.01O=S(=O)(O)OCC1OC(O)(COS(=O)(=O)O)C(OS(=O)(=O)O)C1OS(=O)(=O)O
OpenEye OEToolkits 1.7.6C([C@@H]1[C@H]([C@@H]([C@](O1)(COS(=O)(=O)O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O
CACTVS 3.370O[C@]1(CO[S](O)(=O)=O)O[C@H](CO[S](O)(=O)=O)[C@@H](O[S](O)(=O)=O)[C@@H]1O[S](O)(=O)=O
FormulaC6 H12 O18 S4
Name1,3,4,6-tetra-O-sulfo-beta-D-fructofuranose
ChEMBL
DrugBank
ZINC
PDB chain8rmj Chain F Residue 2 [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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PDB8rmj Molecular mechanisms of proteoglycan-mediated semaphorin signaling in axon guidance.
Resolution2.79 Å
Binding residue
(original residue number in PDB)
A557 R559
Binding residue
(residue number reindexed from 1)
A508 R510
Annotation score1
External links