Structure of PDB 4jso Chain A Binding Site BS02

Receptor Information
>4jso Chain A (length=582) Species: 243274 (Thermotoga maritima MSB8) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SLPREDTVYIGGALWGPATTWNLYAPQSTWGTDQFMYLPAFQYDLGRDAW
IPVIAERYEFVDDKTLRIYIRPEARWSDGVPITADDFVYALELTKELGIG
PGGGWDTYIEYVKAVDTKVVEFKAKEENLNYFQFLSYSLGAQPMPKHVYE
RIRAQMNIKDWINDKPEEQVVSGPYKLYYYDPNIVVYQRVDDWWGKDIFG
LPRPKYLAHVIYKDNPSASLAFERGDIDWNGLFIPSVWELWEKKGLPVGT
WYKKEPYFIPDGVGFVYVNNTKPGLSDPAVRKAIAYAIPYNEMLKKAYFG
YGSQAHPSMVIDLFEPYKQYIDYELAKKTFGTEDGRIPFDLDMANKILDE
AGYKKGPDGVRVGPDGTKLGPYTISVPYGWTDWMMMCEMIAKNLRSIGID
VKTEFPDFSVWADRMTKGTFDLIISWSVGPSFDHPFNIYRFVLDKRLSKP
VGEVTWAGDWERYDNDEVVELLDKAVSTLDPEVRKQAYFRIQQIIYRDMP
SIPAFYTAHWYEYSTKYWINWPSEDNPAWFRPSPWHADAWPTLFIISKKS
DPQPVPSWLGTVDEGGIEIPTAKIFEDLQKAT
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 chain4jso Chain B 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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PDB4jso Molecular details of ligand selectivity determinants in a promiscuous beta-glucan periplasmic binding protein.
Resolution2.07 Å
Binding residue
(original residue number in PDB)		S28 T29 D33 Q34 W456
Binding residue
(residue number reindexed from 1)		S28 T29 D33 Q34 W456
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0046872 metal ion binding
GO:1904680 peptide transmembrane transporter activity
Biological Process
GO:0015833 peptide transport
GO:0055085 transmembrane transport
Cellular Component
GO:0030288 outer membrane-bounded periplasmic space
GO:0043190 ATP-binding cassette (ABC) transporter complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4jso, PDBe:4jso, PDBj:4jso
PDBsum4jso
PubMed24090243
UniProtQ9WXN8

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