Structure of PDB 8rmj Chain A Binding Site BS02

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 IDGU4
InChIInChI=1S/C6H12O18S4/c7-6-5(24-28(17,18)19)4(23-27(14,15)16)3(22-26(11,12)13)2(21-6)1-20-25(8,9)10/h2-7H,1H2,(H,8,9,10)(H,11,12,13)(H,14,15,16)(H,17,18,19)/t2-,3-,4+,5-,6+/m1/s1
InChIKeySPIXVQOXHJQNTH-DVKNGEFBSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7C(C1C(C(C(C(O1)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O
ACDLabs 12.01OC1OC(COS(=O)(=O)O)C(OS(=O)(=O)O)C(OS(=O)(O)=O)C1OS(=O)(=O)O
OpenEye OEToolkits 2.0.7C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O
CACTVS 3.385O[CH]1O[CH](CO[S](O)(=O)=O)[CH](O[S](O)(=O)=O)[CH](O[S](O)(=O)=O)[CH]1O[S](O)(=O)=O
CACTVS 3.385O[C@H]1O[C@H](CO[S](O)(=O)=O)[C@@H](O[S](O)(=O)=O)[C@H](O[S](O)(=O)=O)[C@H]1O[S](O)(=O)=O
FormulaC6 H12 O18 S4
Name2,3,4,6-tetra-O-sulfonato-alpha-D-glucopyranose;
2,3,4,6-tetra-O-sulfonato-alpha-D-glucose;
2,3,4,6-tetra-O-sulfonato-D-glucose;
2,3,4,6-tetra-O-sulfonato-glucose
ChEMBL
DrugBank
ZINCZINC000058632064
PDB chain8rmj Chain F Residue 1 [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)		K61 H63 A531 M532 C533 A534 R535 P560
Binding residue
(residue number reindexed from 1)		K12 H14 A482 M483 C484 A485 R486 P511
Annotation score1
External links