Structure of PDB 6w98 Chain A Binding Site BS02

Receptor Information

>6w98 Chain A (length=1312) Species: 1185650 (Mycobacteroides abscessus subsp. abscessus)

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 ID: CA
• InChI: InChI=1S/Ca/q+2
• InChIKey: BHPQYMZQTOCNFJ-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Ca++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Ca+2]
• Formula: Ca
• Name: CALCIUM ION
• DrugBank: DB14577
• PDB chain: 6w98 Chain A Residue 2002

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6w98 Cryo-EM Structures and Regulation of Arabinofuranosyltransferase AftD from Mycobacteria.
• Resolution: 2.9 Å
• Binding residue (original residue number in PDB): A962 D965 D967 T970 A1075
• Binding residue (residue number reindexed from 1): A898 D901 D903 T906 A1011
• Annotation score: 4

Gene Ontology

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UnboundLocalError

Python 3.6.8: /usr/bin/python3 Sat Nov 30 15:52:44 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 = 'BS02', 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='BS02', 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>