Structure of PDB 2uw1 Chain B Binding Site BS03

Receptor Information
>2uw1 Chain B (length=338) Species: 4052 (Hedera helix) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MQVTHSMPPQKLEIFKSLDDWARNNVLIHLKSVEKSWQPQDYLPDPVSDG
FEEQVRELRERAKEIPDDYFVVLVGDMITEEALPTYMSMLNRCDGIKDET
GAEPSAWAMWTRAWTAEENRHGDLLNKYLYLSGRVDMRKIEKTIQYLIGS
GMDIKSENSPYLGFIYTSFQERATFISHANTAKLAQHWGDKNLAHICGSI
ASDEKRHATAYTKIVEKLAEIDPDTTVIAFADMMRKKITMPAHLMYDGSD
ELLFKHFTAVAQRVGVYSALDYCDILEFLVDKWNVERLTGLSDEGRKAQE
YVCELGPKIRRLEERAQGRAKEAPTMPFSWIFDRQVKL
Ligand information
Ligand IDGVM
InChIInChI=1S/C8H16O3/c1-8(2,3)5-6(9)4-7(10)11/h6,9H,4-5H2,1-3H3,(H,10,11)/t6-/m0/s1
InChIKeyPHACRADGRHURFF-LURJTMIESA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(C)(C)CC(CC(=O)O)O
CACTVS 3.341CC(C)(C)C[CH](O)CC(O)=O
CACTVS 3.341CC(C)(C)C[C@@H](O)CC(O)=O
OpenEye OEToolkits 1.5.0CC(C)(C)C[C@H](CC(=O)O)O
ACDLabs 10.04O=C(O)CC(O)CC(C)(C)C
FormulaC8 H16 O3
Name(3R)-3-HYDROXY-5,5-DIMETHYLHEXANOIC ACID
ChEMBLCHEMBL1160887
DrugBank
ZINCZINC000003651306
PDB chain2uw1 Chain B Residue 1362 [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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PDB2uw1 The Crystal Structure of the Ivy {Delta}4-16:0-Acp Desaturase Reveals Structural Details of the Oxidized Active Site and Potential Determinants of Regioselectivity.
Resolution1.95 Å
Binding residue
(original residue number in PDB)		E100 Y106 W134 E138 Y186 T187 E191
Binding residue
(residue number reindexed from 1)		E80 Y86 W114 E118 Y166 T167 E171
Annotation score1
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Sat Nov 16 06:03:05 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 = '2uw1', asym_id = 'B', bs = 'BS03', title = 'The Crystal Structure of the Ivy {Delta}4-16:0-A... and Potential Determinants of Regioselectivity. '
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='2uw1', asym_id='B', bs='BS03', title='The Crystal Structure of the Ivy {Delta}4-16:0-A... and Potential Determinants of Regioselectivity. ')
   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 = '0006631,0016491,0045300', uniprot = '', pdbid = '2uw1', asym_id = 'B'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0006631,0016491,0045300', uniprot='', pdbid='2uw1', 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>