Structure of PDB 3i5o Chain B Binding Site BS01

Receptor Information
>3i5o Chain B (length=582) Species: 2336 (Thermotoga maritima) [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 chain3i5o Chain D Residue 1 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3i5o Structural Analysis of Semi-specific Oligosaccharide Recognition by a Cellulose-binding Protein of Thermotoga maritima Reveals Adaptations for Functional Diversification of the Oligopeptide Periplasmic Binding Protein Fold.
Resolution1.5 Å
Binding residue
(original residue number in PDB)		G101 P102 G103 G104 W457 A458
Binding residue
(residue number reindexed from 1)		G100 P101 G102 G103 W456 A457
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:3i5o, PDBe:3i5o, PDBj:3i5o
PDBsum3i5o
PubMed19801540
UniProtQ9WXN8

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