Structure of PDB 5jrk Chain A Binding Site BS01

Receptor Information
>5jrk Chain A (length=695) Species: 317655 (Sphingopyxis alaskensis RB2256) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KGRPWTLEDILTVPEVNEIALSDNGRLAIYAAEIADLDAGKPRSHIRIVD
VETGRTKELLTVDTIKSLRSVPGTQDWSALVDLGEGQQLYRIDTEGKLLP
LIVNPNPVPVGKADMSFPLGGGIRPSHIGILDYDWSPDGKWLWYSQLRAK
SDGPRVRFDEEVTALLGRRRSTIDVEVDFFLRNPEGDTTRIMARPSTDRV
ATRGGGRVLWRGNEVQFRIETSDGGGAFEFVAWNRVNRTVRTLAKQRDLL
SMSILVGPRGGQLSTSGLGSDRELIETSAEGRPHSYGRVAFDIGDSRSAG
WKRSRDGKRVVIGTRGLGDARYGLALIDKTGVRELRADASLTRCGFDGML
RSAICVEEGMSRPPRLVRVDLGTDKITDLGPISPRHEEIEPLQTIARTFV
SRDGYWSSGYVLLPRGHRAADRHPAVVVTHGTDADDRFAEPANQWNYPVQ
LLAERGYVVLLLNDPSPGQSKDLMDAMHAWLRGKGPPDPETVQQKLWLTG
VHSFEDAVTELAAEGLIDPARVGIAGYSRGSQMVNVTVTNSKMFRAASSG
DGGFLEPAGYATGRSSYDAVYGGAPLSDNIERWRRFAPSLNADKVCAAVL
QQVASASPSQIELFEALRAAGVATQISYYPGATAASDETHVFYLTTNRLR
AMRENIAWFDYWLLDKRDADAPFPDHVVKWDRLKKNLPDRCAAAP
Ligand information
Ligand IDBGC
InChIInChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1
InChIKeyWQZGKKKJIJFFOK-VFUOTHLCSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6C(C1C(C(C(C(O1)O)O)O)O)O
CACTVS 3.370OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O
CACTVS 3.370OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.7.6C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O
ACDLabs 12.01OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namebeta-D-glucopyranose;
beta-D-glucose;
D-glucose;
glucose
ChEMBLCHEMBL1614854
DrugBankDB02379
ZINCZINC000003833800
PDB chain5jrk Chain A Residue 801 [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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PDB5jrk Structure and Mechanism of the Sphingopyxin I Lasso Peptide Isopeptidase.
Resolution3.0 Å
Binding residue
(original residue number in PDB)		A49 L50 S99 K333 G376 F377
Binding residue
(residue number reindexed from 1)		A20 L21 S70 K302 G345 F346
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0008236 serine-type peptidase activity
Biological Process
GO:0006508 proteolysis

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Molecular Function
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Biological Process
External links
PDB RCSB:5jrk, PDBe:5jrk, PDBj:5jrk
PDBsum5jrk
PubMed27611791
UniProtQ1GQ33

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