Structure of PDB 6gjc Chain F Binding Site BS01

Receptor Information

>6gjc Chain F (length=2770) Species: 1773 (Mycobacterium tuberculosis)

HALVDRLMAGEPYAVAFGGQGSAWLETLEELVSATGIETELATLVGEAEL
LLDPVTDELIVVRPIGFEPLQWVRALAAEDPVPSDKHLTSAAVSVPGVLL
TQIAATRALARQGMDLVATPPVAMAGHSQGVLAVEALKAGGARDVELFAL
AQLIGAAGTLVARRRGISVLGDRPPMVSVTNADPERIGRLLDEFAQDVRT
VLPPVLSIRNGRRAVVITGTPEQLSRFELYCRQISEKEEADRKNKVRGGD
VFSPVFEPVQVEVGFHTPRLSDGIDIVAGWAEKAGLDVALARELADAILI
RKVDWVDEITRVHAAGARWILDLGPGDILTRLTAPVIRGLGIGIVPAATR
GGQRNLFTVGATPEVARAWSSYAPTVVRLPDGRVKLSTKFTRLTGRSPIL
LAGMTPTTVDAKIVAAAANAGHWAELAGGGQVTEEIFGNRIEQMAGLLEP
GRTYQFNALFLDPYLWKLQVGGKRLVQKARQSGAAIDGVVISAGIPDLDE
AVELIDELGDIGISHVVFKPGTIEQIRSVIRIATEVPTKPVIMHVEGGRA
GGHHSWEDLDDLLLATYSELRSRANITVCVGGGIGTPRRAAEYLSGRWAQ
AYGFPLMPIDGILVGTAAMATKESTTSPSVKRMLVDTQGTDQWISAGKAQ
GGMASSRSQLGADIHEIDNSASRCGRLLDEVAGDAEAVAERRDEIIAAMA
KTAKPYFGDVADMTYLQWLRRYVELAIGEGNSTADTASVGSPWLADTWRD
RFEQMLQRAEARLHPQDFGPIQTLFTDAGLLDNPQQAIAALLARYPDAET
VQLHPADVPFFVTLCKTLGKPVNFVPVIDQDVRRWWRSDSLWQAHDARYD
ADAVCIIPGTASVAGITRMDEPVGELLDRFEQAAIDEVLGAGVEPKDVAS
RRLGRADVAGPLAVVLDAPDVRWAGRTVTNPVHRIADPAEWQVHDGPENP
RATHSSTGARLQTHGDDVALSVPVSGTWVDIRFTLPANTVDGGTPVIATE
DATSAMRTVLAIAAGVDSPEFLPAVANGTATLTVDWHPERVADHTGVTAT
FGEPLAPSLTNVPDALVGPCWPAVFAAIGSAVTDTGEPVVEGLLSLVHLD
HAARVVGQLPTVPAQLTVTATAANATDTDMGRVVPVSVVVTGADGAVIAT
LEERFAILGRTGSAELADPARAGGAVSANATDTPRRRRRDVTITAPVDMR
PFAVVSGDHNPIHTDRAAALLAGLESPIVHGMWLSAAAQHAVTATDGQAR
PPARLVGWTARFLGMVRPGDEVDFRVERVGIDQGAEIVDVAARVGSDLVM
SASARLAAPKTVYAFPGQGIQHKGMGMEVRARSKAARKVWDTADKFTRDT
LGFSVLHVVRDNPTSIIASGVHYHHPDGVLYLTQFTQVAMATVAAAQVAE
MREQGAFVEGAIACGHSVGEYTALACVTGIYQLEALLEMVFHRGSKMHDI
VPRDELGRSNYRLAAIRPSQIDLDDADVPAFVAGIAESTGEFLEIVNFNL
RGSQYAIAGTVRGLEALEAEVERRRELTGGRRSFILVPGIDVPFHSRVLR
VGVAEFRRSLDRVMPRDADPDLIIGRYIPNLVPRLFTLDRDFIQEIRDLV
PAEPLDEILADYDTWLRERPREMARTVFIELLAWQFASPVRWIETQDLLF
IEEAAGGLGVERFVEIGVKSSPTVAGLATNTLKLPEYAHSTVEVLNAERD
AAVLFATDTDAAALSEFTDQITGREGVLASAARLVLGQLGLDDPVNALPA
APDSELIDLVTAELGADWPRLVAPVFDPKKAVVFDDRWASAREDLVKLWL
TDEGDIDADWPRLAERFEGAGHVVATQATWWQGKSLAAGRQIHASLYGRI
AAGAENPEPGRYGGEVAVVTGASKGSIAASVVARLLDGGATVIATTSKLD
EERLAFYRTLYRDHARYGAALWLVAANMASYSDVDALVEWIGTEQTESLG
PQSIHIKDAQTPTLLFPFAAPRVVGDLSEAGSRAEMEMKVLLWAVQRLIG
GLSTIGAERDIASRLHVVLPGSDGAYGEAKSALDAVVSRWHAESSWAARV
SLAHALIGWTRGTNDAIVAAVEEAGVTTYSTDEMAALLLDLCDAESKVAA
ARSPIKADLTGGLAEANLDMAELAAKAREQMSAAAAVDEDAEAPGAIAAL
PSPPRGFTPAPPPQWDDLDVDPADLVVIVGGAEIGPYGSSRTRFEMEVEN
ELSAAGVLELAWTTGLIRWEDDPQPGWYDTESGEMVDESELVQRYHDAVV
QRVGIREFVDDGAIDPDHASPLLVSVFLEKDFAFVVSSEADARAFVEFDP
EHTVIRPVPDSTDWQVIRKAGTEIRVPRKTKLSRVVGGQIPTGFDPTVWG
ISADMAGSIDRLAVWNMVATVDAFLSSGFSPAEVMRYVHPSLVANTQGTG
MGGGTSMQTMYHGNLLGRNKPNDIFQEVLPNIIAAHVVQSYVGSYGAMIH
PVAACATAAVSVEEGVDKIRLGKAQLVVAGGLDDLTLEGIIGFGDMAATA
DTSMMCGRGIHDSKFSRPNDRRRLGFVEAQGGGTILLARGDLALRMGLPV
LAVVAFAQSFGDGVHTSIPAPGLGALGAGRGGKDSPLARALAKLGVAADD
VAVISKHDTSTLANDPNETELHERLADALGRSEGAPLFVVSQKSLTGHAK
GGAAVFQMMGLCQILRDGVIPPNRSLDCVDDELAGSAHFVWVRDTLRLGG
KFPLKAGMLTSLGFGHVSGLVALVHPQAFIASLDPAQRADYQRRADARLL
AGQRRLASAIAGGAPMYQRP

Ligand information

• Ligand ID: FMN
• InChI: InChI=1S/C17H21N4O9P/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(25)20-17(26)19-15)5-11(22)14(24)12(23)6-30-31(27,28)29/h3-4,11-12,14,22-24H,5-6H2,1-2H3,(H,20,25,26)(H2,27,28,29)/t11-,12+,14-/m0/s1
• InChIKey: FVTCRASFADXXNN-SCRDCRAPSA-N
• SMILES:
  OpenEye OEToolkits 1.7.6: Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(COP(=O)(O)O)O)O)O
  OpenEye OEToolkits 1.7.6: Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O
  ACDLabs 12.01: N=2C(=O)NC(=O)C3=Nc1cc(C)c(C)cc1N(C=23)CC(O)C(O)C(O)COP(=O)(O)O
  CACTVS 3.385: Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O)c2cc1C
  CACTVS 3.385: Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[C@H](O)[C@H](O)[C@H](O)CO[P](O)(O)=O)c2cc1C
• Formula: C17 H21 N4 O9 P
• Name: FLAVIN MONONUCLEOTIDE;
  RIBOFLAVIN MONOPHOSPHATE
• ChEMBL: CHEMBL1201794
• DrugBank: DB03247
• ZINC: ZINC000003831425
• PDB chain: 6gjc Chain F Residue 3101

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6gjc Structure of Type-I Mycobacterium tuberculosis fatty acid synthase at 3.3 angstrom resolution.
• Resolution: 3.3 Å
• Binding residue (original residue number in PDB): A433 G434 M435 T436 S523 K550 A581 G613 G614 G646 T647 I888
• Binding residue (residue number reindexed from 1): A402 G403 M404 T405 S492 K519 A550 G582 G583 G615 T616 I857
• Annotation score: 1

Gene Ontology

--> -->

UnboundLocalError

Python 3.6.8: /usr/bin/python3 Fri Nov 15 23:42:39 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 = '6gjc', asym_id = 'F', bs = 'BS01', title = 'Structure of Type-I Mycobacterium tuberculosis fatty acid synthase at 3.3 angstrom resolution.'

 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='6gjc', asym_id='F', bs='BS01', title='Structure of Type-I Mycobacterium tuberculosis fatty acid synthase at 3.3 angstrom resolution.')

   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 = '0004312,0004318,0005835,0006633,0016740,0016746', uniprot = '', pdbid = '6gjc', asym_id = 'F'

 /var/www/html/BioLiP/pdb.cgi in display_go(go='0004312,0004318,0005835,0006633,0016740,0016746', uniprot='', pdbid='6gjc', asym_id='F')

    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>