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 IDIKY
InChIInChI=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)
InChIKeyCRHXDKPGVAVHNT-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.2c1ccc(c(c1)c2nc(co2)C(=O)NO)C(F)(F)F
ACDLabs 12.01FC(F)(F)c1ccccc1c2nc(co2)C(=O)NO
CACTVS 3.370ONC(=O)c1coc(n1)c2ccccc2C(F)(F)F
FormulaC11 H7 F3 N2 O3
NameN-HYDROXY-2-[2-(TRIFLUOROMETHYL)PHENYL]-1,3-OXAZOLE-4-CARBOXAMIDE
ChEMBL
DrugBank
ZINCZINC000095920811
PDB chain4a6v Chain B Residue 1264 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB4a6v 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.
Resolution1.46 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 score1
Binding affinityMOAD: ic50=1.9uM
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Sat Nov 30 17:54:23 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 = '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. ')
   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 = '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')
    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>