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Structure of PDB 4a6v Chain B Binding Site BS01

Receptor Information >4a6v Chain B (length=262) Species: 469008 (Escherichia coli BL21(DE3)) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure] AISIKTPEDIEKMRVAGRLAAEVLEMIEPYVKPGVSTGELDRICNDYIVN EQHAVSACLGYHGYPKSVCISINEVVCHGIPDDAKLLKDGDIVNIDVTVI KDGFHGDTSKMFIVGKPTIMGERLCRITQESLYLALRMVKPGINLREIGA AIQKFVEAEGFSVVREYCGHGIGRGFHEEPQVLHYDSRETNVVLKPGMTF TIEPMVNAGKKEIRTMKDGWTVKTKDRSLSAQYEHTIVVTDNGCEILTLR KDDTIPAIISHD

Ligand information Ligand ID IKY InChI InChI=1S/C11H7F3N2O3/c12-11(13,14)7-4-2-1-3-6(7)10-15-8(5-19-10)9(17)16-18/h1-5,18H,(H,16,17) InChIKey CRHXDKPGVAVHNT-UHFFFAOYSA-N SMILES Software SMILES OpenEye OEToolkits 1.7.2 c1ccc(c(c1)c2nc(co2)C(=O)NO)C(F)(F)F ACDLabs 12.01 FC(F)(F)c1ccccc1c2nc(co2)C(=O)NO CACTVS 3.370 ONC(=O)c1coc(n1)c2ccccc2C(F)(F)F Formula C11 H7 F3 N2 O3 Name N-HYDROXY-2-[2-(TRIFLUOROMETHYL)PHENYL]-1,3-OXAZOLE-4-CARBOXAMIDE ChEMBL DrugBank ZINC ZINC000095920811 PDB chain 4a6v Chain B Residue 1264 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure Global view Local view Structure summary [Spin on] [Spin off] [Reset] [High quality] [Low quality] [White background] [Black background] [Spin on] [Spin off] [Reset] [High quality] [Low quality] [White background] [Black background] PDB 4a6v Hydroxamic Acids as Potent Inhibitors of Fe(II) and Mn(II) E. Coli Methionine Aminopeptidase: Biological Activities and X-Ray Structures of Oxazole Hydroxamate-Ecmetap-Mn Complexes. Resolution 1.46 Å Binding residue (original residue number in PDB) Y62 Y65 H79 D97 D108 H178 E204 W221 E235 Binding residue (residue number reindexed from 1) Y61 Y64 H78 D96 D107 H177 E203 W220 E234 Annotation score 1 Binding affinity MOAD: ic50=1.9uM

Gene Ontology --> -->

UnboundLocalError

Python 3.6.8: /usr/bin/python3 Wed May 21 15:43:15 2025

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>()

1701     title=pdb2title(pdbid)

1702     if bs.startswith("BS"):

=> 1703         pubmed,uniprot=display_interaction(pdbid,asym_id,bs,title)

1704     else:

1705         if lig3:

pubmed = '', uniprot = '', display_interaction = <function display_interaction>, pdbid = '4a6v', asym_id = 'B', bs = 'BS01', title = 'Hydroxamic Acids as Potent Inhibitors of Fe(II) ...res of Oxazole Hydroxamate-Ecmetap-Mn Complexes. '

/var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='4a6v', asym_id='B', bs='BS01', title='Hydroxamic Acids as Potent Inhibitors of Fe(II) ...res of Oxazole Hydroxamate-Ecmetap-Mn Complexes. ')

1326         display_ec(ec,csaOrig,csaRenu)

1327     if go:

=> 1328         display_go(go,uniprot,pdbid,asym_id)

1329     return pubmed,uniprot

1330

global display_go = <function display_go>, go = '0006508,0070006', uniprot = '', pdbid = '4a6v', asym_id = 'B'

/var/www/html/BioLiP/pdb.cgi in display_go(go='0006508,0070006', uniprot='', pdbid='4a6v', asym_id='B')

484         '''.replace("$namespace_link",namespace_link

485           ).replace("$namespace",namespace

=>  486           ).replace("$uniprot",u

487         ))

488         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>