Structure of PDB 6mlw Chain A Binding Site BS02

Receptor Information
>6mlw Chain A (length=449) Species: 346 (Xanthomonas citri) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HMTLPAFKAYDIRGRVPDELNEDLARRIGVALAAQLDQGPVVLGHDVRLA
SPALQEALSAGLRASGRDVIDIGLCGTEEVYFQTDYLKAAGGVMVTASHN
PMDYNGMKLVREQARPISSDTGLFAIRDTVAADTAAPGEPTASEQSRTDK
TAYLEHLLSYVDRSTLKPLKLVVNAGNGGAGLIVDLLAPHLPFEFVRVFH
EPDGNFPNGIPNPLLPENRDATAKAVKDNGADFGIAWDGDFDRCFFFDHT
GRFIEGYYLVGLLAQAILAKQPGGKVVHDPRLTWNTVEQVEEAGGIPVLC
KSGHAFIKEKMRSENAVYGGEMSAHHYFREFAYADSGMIPWLLIAELVSQ
SGRSLADLVEARMQKFPCSGEINFKVADAKASVARVMEHYASLSPELDYT
DGISADFGQWRFNLRSSNTEPLLRLNVETRGDAALLETRTQEISNLLRG
Ligand information
Ligand IDJVA
InChIInChI=1S/C7H14FO7P/c8-5-4(2-16(12,13)14)15-3(1-9)6(10)7(5)11/h3-7,9-11H,1-2H2,(H2,12,13,14)/t3-,4-,5-,6-,7-/m1/s1
InChIKeyCDQMFQZEPGCBTC-NYMZXIIRSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01C1(OC(C(C(C1F)O)O)CO)CP(O)(O)=O
CACTVS 3.385OC[CH]1O[CH](C[P](O)(O)=O)[CH](F)[CH](O)[CH]1O
CACTVS 3.385OC[C@H]1O[C@H](C[P](O)(O)=O)[C@@H](F)[C@@H](O)[C@@H]1O
OpenEye OEToolkits 2.0.6C(C1C(C(C(C(O1)CP(=O)(O)O)F)O)O)O
OpenEye OEToolkits 2.0.6C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)CP(=O)(O)O)F)O)O)O
FormulaC7 H14 F O7 P
Name2,6-anhydro-5,7-dideoxy-5-fluoro-7-phosphono-D-glycero-D-manno-heptitol
ChEMBL
DrugBank
ZINC
PDB chain6mlw Chain A Residue 502 [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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PDB6mlw Inhibitory Evaluation of alpha PMM/PGM fromPseudomonas aeruginosa: Chemical Synthesis, Enzyme Kinetics, and Protein Crystallographic Study.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		G302 H303 E320 S322 H324 R414 S416 N417 T418 R423
Binding residue
(residue number reindexed from 1)		G303 H304 E321 S323 H325 R415 S417 N418 T419 R424
Annotation score1
Binding affinityMOAD: Ki=184uM
PDBbind-CN: -logKd/Ki=3.74,Ki=184uM
Gene Ontology
--> -->
 
 
UnboundLocalError		Python 3.6.8: /usr/bin/python3
Tue Feb 18 06:12:18 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>()
   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 = '6mlw', asym_id = 'A', bs = 'BS02', title = 'Inhibitory Evaluation of alpha PMM/PGM fromPseud...me Kinetics, and Protein Crystallographic Study. '
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='6mlw', asym_id='A', bs='BS02', title='Inhibitory Evaluation of alpha PMM/PGM fromPseud...me Kinetics, and Protein Crystallographic Study. ')
   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 = '0000287,0005975,0016868', uniprot = '', pdbid = '6mlw', asym_id = 'A'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0000287,0005975,0016868', uniprot='', pdbid='6mlw', asym_id='A')
    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>