Structure of PDB 4v8w Chain D Binding Site BS01

Receptor Information

>4v8w Chain D (length=2452) Species: 1773 (Mycobacterium tuberculosis)

SSYAPTVVKLPDGSVKLETKFTRLTGRSPILLAGMTPTTVDAKIVAAAAN
AGHWAELAGGGQVTEQIFNDRIAELETLLEPGRAIQFNTLFLDPYLWKLQ
VGGKRLVQRARQSGAPIDGLVVSAGIPDLEEAVDIIDELNEVGISHVVFK
PGTVEQIRSVIRIAAEVPTKPVIVHIEGGRAGGHHSWEDLDDLLLATYSE
LRSRSNITICVGGGIGTPERSAEYLSGRWAEVHGYPLMPIDGILVGTAAM
ATLEATTSPQVKQLLVETKGTEAWVGAGKAANGMASGRSQLGADIHEIDN
AASRCGRLLDEVAGDADAVAERRDEIIAAMAQTAKPYFGDVAEMTYLQWL
RRYVELAIGDGNSTADTKRPDSPWLDITWRDRFEQMLKRAEARLHPQDFG
PIETLFDADADGERLLEDPEAAITALLQRYPDAETVVLHPADVPFFVELC
KTLGKPVNFVPVIDKDVRRWWRSDSLWQAHDARYEADQVCVIPGTAAVAG
ITRVDEPVGELLDRFEQAAVDEVLGAGAEPVEVLSRRQARRDASGPLAVV
LDAPDVLWAGRMSVNPVHRIAAPTEWQVREGSDNRSASHPSTGARLEVAD
DQHVVLSVPLSGTWIEIRFTLTDVVRSGGAPIVEVDDAATAMRAVLAIAA
GVEGPENLPKVVDNTATVTVDWDPERVADHTGVTATFGAPLAPTLTVVPD
ALVGRCWPAVFAAIGSAATEAGFPVIEGLLSLVHLDHAARLLAELPKEPA
EFTVTAKASAATDTEVGRVVPVSVEVRNAADGALLATLEERFAIRGRTGA
AELTDPVRAGGAISDNATDTPRRRRRDVTVGAPVDMRPFAVVSGDHNPIH
TDRAAALLAGLEGPIVHGMWLSAAAQHVVTATDGKPVPPAKLIGWTARFL
GMVKPGDQVDFRVDRVGIDVGAEVLEVSARIGSELVMAATARLAAPKTVY
AFPGQGIQHKGMGMEVRARSKAARKVWDSADKFTRETLGFSVLHVVRDNP
TSLIASGVHYHHPDGVLFLTQFTQVAMATVAAAQVAEMREQGAFVEGAIA
CGHSVGEYTALACVSGVYELEALLEVVFHRGSKMHDIVPRDELGRSNYRL
AAIRPSQIDLDDADVKDFVAEISERTGEFLEIVNFNLRGSQYAIAGTVAG
LEALEEEIERRRQITGGKRSFILVPGIDVPFHSSVLRVGVADFRRSLERV
MPRDKDPELIIGRYIPNLVPRPFTLDRDFIQEIRDLVPAEPLDEVLADYD
TWRNEKPKELCRKVVIELLAWQFASPVRWIETQDLLFIEEAAGGLGVERF
VEIGVKSAPTVAGLATNTLKLPEYSHSTVEVLNSERDAAVLFATDSAALG
EFAEKVTGPDGVLASAARLVLNQLGLSDVVTTPEAATDAELIDLVTAELG
SDWPRLVAPTFDARKAVVFDDRWASAREDLVKLWLAEEGDIDAQWEQLSQ
RFEGTGHVVATQANWWQGKALAAGRNVHASLFGRIAAGAENPGKGRYSDE
VAVVTGASKGSIAASVVGQLLDGGATVIATTSRLDDDRLAFYKQLYRDHA
RFDATLWVVPANMASYSDIDKLVEWVGTEQTESLGPQSIHLKDAQTPTLL
FPFAAPRVAGDMSEVGSRAEMEMKVLLWAVQRLISGLSKIGAERDIASRL
HVVLPGSPNRGMFGGDGAYGEAKSALDALENRWSAEKSWAERVSLAHALI
GWTKGTGLMGQNDAIVSAVEEAGVTTYTTDEMAAMLLDLCTVETKVAAAG
APVKVDLTGGLGDIKIDMAELAAKAREEMSGAADESDDEAPAGTIRALPS
PPRGYNPAPAPEWDDLDVDPADLVVIVGGAELGPYGSSRTRFEMEVSGEL
SAAGVLELAWTTGMVKWEDDPKAGWYDTETGELVPECEIVERYHDAVVER
CGIREFVDDGAIDPDHASPLLVSVFLDKDFTFVVSSEADARAFVQFDPEH
TVARPLPDSSDWEVTRKAGTEIRVPRKTKLSRTVGAQIPTGFDPTVWGIS
PDMASSIDRVALWNIVATVDAFLSSGFTPTELMRWVHPSQVASTQGTGMG
GMTSMQTMYHGNLLGRAKPNDILQEVLPNVVAAHVMQSYVGGYGAMVHPV
GACATAAVSVEEGVDKIKLGKADLVIAGGFDDLTLEAIIGFGDMAATADT
EMMRAKGISDSKFSRANDRRRLGFLEAQGGGTILLARGDLALKMGLPVLA
VVGYAQSFADGVHTSIPAPGLGALGAARGGRESTLARSLAQLGVGADDIA
VISKHDTSTLANDPNETELHERIADSMGRAPGNPLFIVSQKTLTGHAKGG
AAVFQMMGLCQILRDGVIPPNRSLDCVDDELATSGHFVWVREPLDLRGKF
PLKAGLVTSLGFGHVSGLVALVHPEAFIAALDPSEREDYRTRAEQRMLAG
QRRLVSAIAGGRPMYEKPADRRFDHDVPEKRQEAAMLLSTDARLGENDQY
VL

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: 4v8w Chain D Residue 4000

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4v8w Structure and Conformational Variability of the Mycobacterium Tuberculosis Fatty Acid Synthase Multienzyme Complex.
• Resolution: 17.5 Å
• Binding residue (original residue number in PDB): G434 M435 T436 P437 L490 S523 K550 E577 A581 G613 G614 G646 T647 I892
• Binding residue (residue number reindexed from 1): G34 M35 T36 P37 L90 S123 K150 E177 A181 G213 G214 G246 T247 I492
• Annotation score: 1

Gene Ontology

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UnboundLocalError

Python 3.6.8: /usr/bin/python3 Sun Nov 24 15:19:57 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 = '4v8w', asym_id = 'D', bs = 'BS01', title = 'Structure and Conformational Variability of the ...rculosis Fatty Acid Synthase Multienzyme Complex.'

 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='4v8w', asym_id='D', bs='BS01', title='Structure and Conformational Variability of the ...rculosis Fatty Acid Synthase Multienzyme Complex.')

   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 = '4v8w', asym_id = 'D'

 /var/www/html/BioLiP/pdb.cgi in display_go(go='0004312,0004318,0005835,0006633,0016740,0016746', uniprot='', pdbid='4v8w', asym_id='D')

    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>