Structure of PDB 6w98 Chain A Binding Site BS03

Receptor Information
>6w98 Chain A (length=1312) Species: 1185650 (Mycobacteroides abscessus subsp. abscessus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TYRLDSSALSRRWLAVAAAVSLLLTFSQSPGQISPDTKLDLAINPLRFAA
RALNLWSSDLPFGQAQNQAYGYLFPHGAFFSLGHLLGVPAWVTQRLWWAL
LIVAGFWGLIRVAEALGIGTRGSRIIAAVAFALSPRVLTTLGAISSETLP
MMLAPWVLLPLILTFQGRMSPRRAAALSAVAVALMGAVNAVATALACGVA
VIWWLAHRPNRTWWRFTAWWIPCLALASTWWIVALLIFGKISPKFLDFIE
STSLTEVLRGTVTQSAMVIATTMLAAAGMAGLAMRGMPARGRLVAVLLIG
LVLLRNVHKLEPLIRLPLILGLAHALSRIPLPASVPVNRAVAFAIVLLVA
LAASTSLAWTGRLVPRGGFDAIPGYWNDTAHWLADHDTGGRALVVPGAPF
AIQTWGLTRDEPLQALGQTPWGVRDSIPLTPPETIRAIDSVQQLFAAGRP
SDGLADTLREQGISYLVVRNDLDPDTSRSARPILVHHTIEGSPGLTKVAQ
FGDPVGAGAVEGFVADSDLRPQYPAVEIYAVGANDHDGEPYFTDIDTMPR
VAGGPEALLRLNERRRQLNEPPLGPSLLATDAAQAGLRPGPAVVTDTPLA
RETDYGRVDDHSSAIRAPGDKRRTFNRVPDYPATGVPLVNGSWTGGTITA
SSSASDSTALPNVAPGTSTAAAIDRDNATSWVSSSLEAALGQWIRIDLDR
PITNAILTVTPSATALGAQVRRLEVETDNGTTSVRFDEPGQPLNIALRPG
ETTWVKVTATGTDDGTSGVQFGVTELSLTQYDAAGFAHTVDLRHSATVPP
PPAGDNPLGWDLGSPLQGRSGCAPSPQRLRCAATLSLAPEEPGTFIRTLT
VPQPVSLTPRLWVRARPGPQLRDLIQQPGTTVATGDSDVIDPQGSSYAAT
DGDPGTVWTAPQDSVQRLHLPSLVIKLPKPTAIGAIRLRPSRTEVPAHPK
QVAINLGDGPQLRSIDPKADVTELALHPSITDTITVTVTDWTDIIDRTAL
GFDQLKPPGIAEVIALDADHRPIAPADNAANSKRKITIGCNRGPILALAG
RFVPMSITATVRELLDGTVIQATPCDTSPIATGAGIQDVTVNPSQQFIVD
GVQLTAAATEPASATMTVAPKGAWGPDRREVTAEPSAHERVLAVPESINP
GWAARDAQGHLLTPVRVNGWQQGWVLPAGDGGKITLTFGLNTWYRAGLFG
GLALLPILACLALLPALPPVAPWCAGPAAGVAVLAALTAISGISGMAVGL
AALAFKVWTRWPLRAVTAAGVYLAGGSLLLAGAALSRHHSWWIQLLALIS
VASVALAAVRLP
Ligand information
Ligand ID6OU
InChIInChI=1S/C39H76NO8P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-39(42)48-37(36-47-49(43,44)46-34-33-40)35-45-38(41)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,37H,3-16,19-36,40H2,1-2H3,(H,43,44)/b18-17-/t37-/m1/s1
InChIKeyFHQVHHIBKUMWTI-OTMQOFQLSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P](O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCCCC
OpenEye OEToolkits 2.0.6CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCC/C=C\CCCCCCCC
CACTVS 3.385CCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OCCN)OC(=O)CCCCCCCC=CCCCCCCCC
OpenEye OEToolkits 2.0.6CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCC=CCCCCCCCC
FormulaC39 H76 N O8 P
Name[(2~{R})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-hexadecanoyloxy-propan-2-yl] (~{Z})-octadec-9-enoate
ChEMBL
DrugBank
ZINCZINC000008437520
PDB chain6w98 Chain A Residue 2003 [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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PDB6w98 Cryo-EM Structures and Regulation of Arabinofuranosyltransferase AftD from Mycobacteria.
Resolution2.9 Å
Binding residue
(original residue number in PDB)		G316 R317 I324
Binding residue
(residue number reindexed from 1)		G291 R292 I299
Annotation score1
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Sat Nov 30 15:53:07 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 = '6w98', asym_id = 'A', bs = 'BS03', title = 'Cryo-EM Structures and Regulation of Arabinofuranosyltransferase AftD from Mycobacteria.'
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='6w98', asym_id='A', bs='BS03', title='Cryo-EM Structures and Regulation of Arabinofuranosyltransferase AftD from Mycobacteria.')
   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 = '0016740', uniprot = '', pdbid = '6w98', asym_id = 'A'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0016740', uniprot='', pdbid='6w98', 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>