Structure of PDB 8rf0 Chain A Binding Site BS03

Receptor Information
>8rf0 Chain A (length=2780) Species: 358 (Agrobacterium tumefaciens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DHNDSIRASYMTIEELHDAGAALSRDGADSLPGFMEFDFFERHRENEKEI
LRVYRTTAVDAENGATITPAAEWLLDNHYVIEEAIQEVRRDFPRKFYRQL
PTMTVGGVTIPRVMALGWLYVAHTHSTVSRENMTALVDGYQTSQTLQIGE
LWALPSIIRFVLIENLRRISIRVERSRRMRQKANEVVDEIIRLNDAEASA
ALLKQVDSLVDDPTFATQFLYRLRNGSQTSGFAVAWLEERLHAAGTDAEN
VMMSEHNRLASGNVTMGNIVKSLREIDDTEWSVWFEEVSHIDKVLREETD
YEILDFGSRNTYRNTIELLARRSPRTEVEVARAAVEMARSDLPAGADENH
RVNVGSVLVGQRRFELEKALGYRPLASQHIVRSMRKFNWLAIAAPVLLIT
AVAMLAVGWFLAKAGMPWYVVTAFLLMFALPASEGATGLFNTLVTFFVKP
FRLVGYEFKNGIPEDARTLVAVPCMLTSRDSVDEMMRNIEVHYLANPHGE
IYFSLVSDWRDAPYEQSDEDLEILDYAKRELAALNSRYAFDGKTRFYLLH
RRRIYNSAEECWMGWERKRGKLHELNMLLRGDKDTTFLGGSNIVPADVKY
VMTLDADTRLMRDAVTKLVGKMHHPINRPKIDPVSGRVVEGYGLLQPRVT
PSLTTGKDASVFQRVFSINRGIDPYVFTVSDVYQDLTSEGTFTGKGLYDV
DAFEAALKGRIEENSILSHDLLEGSFARCALVTDVELVEDFPTRYEVEVS
RQHRWARGDWQLLPFIIDRARGVTAIGRWKMVDNLRRSLTPIAWFFASIL
GWYFMDPLGALIWQILLIFSLFVAPTLSLLSGLVPRSTDIVPQAHFFTIW
SEIRATNAQVALRIVFIADAACMMTDAIVRSLYRLLVSHKLMLEWRTAAS
MQSSAQGSIVDYYRQMWHAPVVAMLGLLFAALPGDNAFLIGIPFTLLWVL
SPAVAWYVSQSAETEDRLFVSEHVSFELRKIARRTWRYYEAFVTPQENHL
PPDNFQETPEPIVASRTSPTNIGVYLLSVISARQFGWISFADTLERIENT
IQTVEKMEKHRGHLYNWYHTDTLQTLGPRYVSAVDSGNLAGHLIAVSSAC
RDWAEAPSAHLQGNLDGIGDVAGILRETLKALPDNRKTLRPLHRRLEERI
IGFSNALASVKREHEFASIRVINLAVLARDIQKLATNVDHEVKSAQSAEV
TRWAQLLVESCEAHISDSAIDLTNMEPLRQRLASLRDRSRNLAFSMDFTF
LYRKDRRLLSIGYRVESKELDEACYDLLASECRLTSLFAIAKGDLPTEHW
YRLGRQVVPIGAQGALVSWSGSMFEYLMPPLVMQERQGGILNQTNNLIVK
EQMNHGRRLGTPWGISEAAFNARDHNMNYQYTNFGVPTLGLKRGLGQNAV
IAPYASILASQYDPDGALENLDKLRKLGALGQYGFHDAVDFTPTRVPDGK
VCAVVYNYYAHHHGMSIAAVANVAFDGVLRELFHSDPVIEAAELLLQEKA
PREVPVMSAGKEQADLLRAEVRSIADPAVRDREVVFLSNGHYSTMLTSTG
AGYSKWNGQAISRWKADPTDDRWGTFIFLRDTTNGQWWSATAEPRVIEGE
KTKTIFTDDKAEFHKTIGDLQSVVECIVATEHDAEGRRITLLNVGSEDRY
IEVTSYMEPVIASEDDDNAHPLFSRMFVQTEIGRRGDVIRAWRNRRSQNE
PGTVIAHLAADNAGPSRPTEFETDRAKFIGRGRSLREAAAFDAGATLSSS
DGFTLDPILSLRRTVRVPAGKKVSVIFWTIAAPSREEVDKAIDRYRHPDA
FAHELVHAWTRTQVQMRHVGVTSQQAAAFQHLGRYLTYPDMHLRADSETL
KTGLASQRALWPLAISGDFPIFSLRINDDMDMDIAREALSAHEYLRSRGV
IFDLVIVNERAASYAQDMQHALDHISETQRRINPADGRPHVFSVRRDLMD
EETWSALLAASRVVLHVRNGKIVDQINRAVSLFAASDAAQARLPVPAFPV
AEPVEDAGDLDFWNGFGGFAKNGQEYVVRLNGGQSTPHPWINVISNENFG
FHISAEGAGFSWSRNSRDYQLTPWTNDPVINRPGEAFYVADVETGKLYTP
CAALSRDPEAMFETRHGLGYSILTGVADTLEVELTQTVDREKPVKFSQVI
VRNKGSKSRRLKVYAYVEWVLGNNGQKSAPFILSRHDAGSNAIFASNPYS
IDYSARTSFLTLDSEASGFTTSRREFIGRFGSAQAPQGIVAGAALSGTTE
VDGDPCAALMQEIHLKPGEERHMTFILGDADNAEEAEALVKDVRQADFLS
VLEESKKFWTGFTGQLQVSTPDAGFNHMVNNWLPYQALACRILARTAFYQ
SSGAFGFRDQLQDTLAFPDLARTQILRAAGRQFPEGDVQHWWLPLTGAGV
RTTISDDVVWLAYAINQYVSATGDAAILDESIPFLKGPALMPGQHDAFFQ
PETSERSATLYEHAALALDLAIHRTGENGLPLILGGDWNDGMNRVGVGGK
GTSVWLGWFLAGALRDFIEIAEKRGDTDRVGKWASHREKLRHVLETAGWD
GSYYRRGYFDDGTPLGSASSEECQIDSLGQSWSVLSGEGEEGRSRQAMDA
VMEHLVDEKTGIIRLFTPPFSRASHDPGYIKGYPPGVRENGGQYTHAATW
VVLALAKQGRAQEAWNCFKLLNPVNHALDAASSETYRVEPYVVTADVYGE
GAYAGRGGWSWYTGSAGWLYRAAVEGILGITRTDGKLHVSPSLPEDWSGF
SIRITLDGKARDIAVSRKAGTADVSVSVDG
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 chain8rf0 Chain C 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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PDB8rf0 Structure-function analysis of the cyclic beta-1,2-glucan synthase from Agrobacterium tumefaciens.
Resolution3.4 Å
Binding residue
(original residue number in PDB)		R1035 N1397
Binding residue
(residue number reindexed from 1)		R1016 N1378
Annotation score4
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Wed Nov 27 08:26:29 2024

A problem occurred in a Python script. Here is the sequence of function calls leading up to the error, in the order they occurred.

 /var/www/html/BioLiP/pdb.cgi in <module>()
   1435     title=pdb2title(pdbid)
   1436     if bs.startswith("BS"):
=> 1437         pubmed,uniprot=display_interaction(pdbid,asym_id,bs,title)
   1438     else:
   1439         if lig3:
pubmed = '', uniprot = '', display_interaction = <function display_interaction>, pdbid = '8rf0', asym_id = 'A', bs = 'BS03', title = 'Structure-function analysis of the cyclic beta-1,2-glucan synthase from Agrobacterium tumefaciens.'
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='8rf0', asym_id='A', bs='BS03', title='Structure-function analysis of the cyclic beta-1,2-glucan synthase from Agrobacterium tumefaciens.')
   1295         display_ec(ec,csaOrig,csaRenu)
   1296     if go:
=> 1297         display_go(go,uniprot,pdbid,asym_id)
   1298     return pubmed,uniprot
   1299 
global display_go = <function display_go>, go = '0003824,0005975,0030246', uniprot = '', pdbid = '8rf0', asym_id = 'A'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0003824,0005975,0030246', uniprot='', pdbid='8rf0', asym_id='A')
    480         '''.replace("$namespace_link",namespace_link
    481           ).replace("$namespace",namespace
=>  482           ).replace("$uniprot",u
    483         ))
    484         for l,(term,name) in enumerate(go2aspect[Aspect]):
u undefined

UnboundLocalError: local variable 'u' referenced before assignment
      args = ("local variable 'u' referenced before assignment",)
      with_traceback = <built-in method with_traceback of UnboundLocalError object>