Structure of PDB 4v8l Chain A Binding Site BS01 |
| >4v8l Chain A (length=2822) Species: 1772 (Mycolicibacterium smegmatis)
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AHALVDRLSAGEPYAVAFGGQGSAWLETLEELVSSAGIESELATLAGEAE
LLLEPVASELVVVRPIGFEPLQWVRALAAEEPVPSDKQLTSAAVSVPGVL
LTQIAAVRALARQGMDLTATPPVAVAGHSQGVLAVQALAAKGAKDVELLA
LAQLIGAAGTLVARRRGITVLGDRPPMVSVTNADPERIYELLEEFSSDVR
TVLPPVLSIRNGRRSVVITGTPEQLSRFELYCTQIAEKEEAERKNKLRGG
AVFAPVFDPVQVEVGFHTPRLSDGIEIVGRWAETVGLDVELAKELTESIL
VRQVDWVDEITELHEAGARWILDLGPGDILTRLTAPVIRGLGIGIVPAAT
RGGQRNLFTVGAVPEVARPWSSYAPTVVKLPDGSVKLETKFTRLTGRSPI
LLAGMTPTTVDAKIVAAAANAGHWAELAGGGQVTEQIFNDRIAELETLLE
PGRAIQFNTLFLDPYLWKLQVGGKRLVQRARQSGAPIDGLVVSAGIPDLE
EAVDIIDELNEVGISHVVFKPGTVEQIRSVIRIAAEVPTKPVIVHIEGGR
AGGHHSWEDLDDLLLATYSELRSRSNITICVGGGIGTPERSAEYLSGRWA
EVHGYPLMPIDGILVGTAAMATLEATTSPQVKQLLVETKGTEAWVGAGKA
ANGMASGRSQLGADIHEIDNAASRCGRLLDEVAGDADAVAERRDEIIAAM
AQTAKPYFGDVAEMTYLQWLRRYVELAIGDGNSTADTKRPDSPWLDITWR
DRFEQMLKRAEARLHPQDFGPIETLFDADADGERLLEDPEAAITALLQRY
PDAETVVLHPADVPFFVELCKTLGKPVNFVPVIDKDVRRWWRSDSLWQAH
DARYEADQVCVIPGTAAVAGITRVDEPVGELLDRFEQAAVDEVLGAGAPP
PPPPPPPPPPPPPPGPLAVVLDAPDVLWAGRMSVNPVHRIAAPPPPPPPP
PPPPPPPPPPPPPPPPPPPPPPPPPPPPPPPPPPIEIRFTLTDVVRSGGA
PIVEVDDAATAMRAVLAIAAGVEGPENLPKVVDNTATVTVDWDPERVADH
TGVTATFGAPLAPTLTVVPDALVGRCWPAVFAAIGSAATEAGFPVIEGLL
SLVHLDHAARLLAELPKEPAEFTVTAKASAATDTEVGRVVPVSVEVRNAA
DGALLATLEERFAIRPPPPPPPPPPPPPPPPPPPPPPPPPPPPPPPPVTV
GAPVDMRPFAVVSGDHNPIHTDRAAALLAGLEGPIVHGMWLSAAAQHVVT
ATDGKPVPPAKLIGWTARFLGMVKPGDQVDFRVDRVGIDVGAEVLEVSAR
IGSELVMAATARLAAPKTVYAFPGQGIQHKGMGMEVRARSKAARKVWDSA
DKFTRETLGFSVLHVVRDNPTSLIASGVHYHHPDGVLFLTQFTQVAMATV
AAAQVAEMREQGAFVEGAIACGHSVGEYTALACVSGVYELEALLEVVFHR
GSKMHDIVPRDELGRSNYRLAAIRPSQIDLDDADVKDFVAEISERTGEFL
EIVNFNLRGSQYAIAGTVAGLEALEEEIERRRQITGGKRSFILVPGIDVP
FHSSVLRVGVADFRRSLERVMPRDKDPELIIGRYIPNLVPRPFTLDRDFI
QEIRDLVPAEPLDEVLADYDTWRNEKPKELCRKVVIELLAWQFASPVRWI
ETQDLLFIEEAAGGLGVERFVEIGVKSAPTVAGLATNTLKLPEYSHSTVE
VLNSERDAAVLFATDSAALGEFAEKVTGPDGVLASAARLVLNQLGLSDVV
TTPEAATDAELIDLVTAELGSDWPRLVAPTFDARKAVVFDDRWASAREDL
VKLWLAEEPPPPPPPPPPPPPPPPPPPPPPPPPPPPPPPPPPPPPPPPPP
PPPPPPPPPPPPPPPPPPDEVAVVTGASKGSIAASVVGQLLDGGATVIAT
TSRLDDDRLAFYKQLYRDHARFDATLWVVPANMASYSDIDKLVEWVGTEQ
TESLGPQSIHLKDAQTPTLLFPFAAPRVAGDMSEVGSRAEMEMKVLLWAV
QRLISGLSKIGAERDIASRLHVVLPGSPNRGMFGGDGAYGEAKSALDALE
NRWSAEKSWAERVSLAHALIGWTKGTGLMGQNDAIVSAVEEAGVTTYTTD
EMAAMLLDLCTVETKVAAAGAPVKVDLTGGLGDIKIDMAELAAKAREEMS
GAADPPPPPPPPPPPPPPPPPPPPPPPPPPPPPPPPDVDPADLVVIVGGA
ELGPYGSSRTRFEMEVSGELSAAGVLELAWTTGMVKWEDDPKAGWYDTET
GELVPECEIVERYHDAVVERCGIREFVDDGAIDPDHASPLLVSVFLDKDF
TFVVSSEADARAFVQFDPEHTVARPLPDSSDWEVTRKAGTEIRVPRKTKL
SRTVGAQIPTGFDPTVWGISPDMASSIDRVALWNIVATVDAFLSSGFTPT
ELMRWVHPSQVASTQGTGMGGMTSMQTMYHGNLLGRAKPNDILQEVLPNV
VAAHVMQSYVGGYGAMVHPVGACATAAVSVEEGVDKIKLGKADLVIAGGF
DDLTLEAIIGFGDMAATADTEMMRAKGISDSKFSRANDRRRLGFLEAQGG
GTILLARGDLALKMGLPVLAVVGYAQSFADGVHTSIPAPGLGALGAARGG
RESTLARSLAQLGVGADDIAVISKHDTSTLANDPNETELHERIADSMGRA
PGNPLFIVSQKTLTGHAKGGAAVFQMMGLCQILRDGVIPPNRSLDCVDDE
LATSGHFVWVREPLDLRGKFPLKAGLVTSLGFGHVSGLVALVHPEAFIAA
LDPSEREDYRTRAEQRMLAGQRRLVSAIAGGRPMYEKPADRRFDHDVPEK
RQEAAMLLSTDARLGENDQYVL |
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| 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 | | Software | SMILES |
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| 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 |
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| Formula | C17 H21 N4 O9 P |
| Name | FLAVIN MONONUCLEOTIDE;
RIBOFLAVIN MONOPHOSPHATE |
| ChEMBL | CHEMBL1201794 |
| DrugBank | DB03247 |
| ZINC | ZINC000003831425
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| PDB chain | 4v8l Chain A Residue 4000
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[Download structure with residue number starting from 1]
[View ligand structure]
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