Structure of PDB 6mvg Chain C Binding Site BS01

Receptor Information

>6mvg Chain C (length=637) Species: 33038 (Mediterraneibacter gnavus)

REIFNLNEKWAFSKEAIKPPVAMPQNWYWVNLPHTWNAIDGQDGGNDYYR
GTCFYAKEVQKEELPEGEQYYLEFLGVNASADVYVNGNHLDHHDGGYSTW
RVNMTDALTDGKNLIVVAVDNSANDRVYPQKADFTFYGGMYRDVNIIAVN
KSHFDLDYYGGNGLKVTPEVADKNAKIAVEVFLSGEKAGQQLVYQITDAE
GVLAAETKTGISDKQVNLEITDVHLWNGRKDPYLYTATVRLMEDGVCIDS
VSTRFGCRTFTIDPDKGFFLNGNSYPLRGVSRHQDRAGNGNALLPEHHRE
DIDLICEMGATTIRLAHYQHAQYFYDLCDEKGLVLWAEIPYISQHMKNGR
ENTISQMKELIVQNYNHPSIVVWGLSNEITMSDEDLMENHHILNDLAHEM
DPTRLTTMAVVSMCDMHNPYIQIPDVVSYNHYFGWYGGDTSMNGPWMDEF
HKEFPKIPIGMSEYGCEALNWHTSDPKQGDYTEEYQAHYHEELIKQLYTR
PYIWATHVWNMFDFAADARNEGGENGMNHKGLVTFDRKYKKDAFYAYKAW
LSDEPFVHICGKRYVDRVENVTKVTVYSNQKTVELFANGESLGKKEASDH
FFYFEVPNHGETKLLAVAGECRDESFIKKVEKFNEAY

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: 6mvg Chain C Residue 801

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6mvg Discovery and Characterization of FMN-Binding beta-Glucuronidases in the Human Gut Microbiome.
• Resolution: 2.8 Å
• Binding residue (original residue number in PDB): D156 Y159 K166 F183 Y366 M404
• Binding residue (residue number reindexed from 1): D155 Y158 K165 F182 Y365 M400
• Annotation score: 4

Gene Ontology

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UnboundLocalError

Python 3.6.8: /usr/bin/python3 Sat Nov 16 15:37:50 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 = '6mvg', asym_id = 'C', bs = 'BS01', title = 'Discovery and Characterization of FMN-Binding beta-Glucuronidases in the Human Gut Microbiome.'

 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='6mvg', asym_id='C', bs='BS01', title='Discovery and Characterization of FMN-Binding beta-Glucuronidases in the Human Gut Microbiome.')

   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 = '0004553,0005975', uniprot = '', pdbid = '6mvg', asym_id = 'C'

 /var/www/html/BioLiP/pdb.cgi in display_go(go='0004553,0005975', uniprot='', pdbid='6mvg', asym_id='C')

    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>