Structure of PDB 7fcm Chain B Binding Site BS02

Receptor Information
>7fcm Chain B (length=269) Species: 1236608 (Moraxella catarrhalis BBH18) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QSMLLKGQRFVVTGIASKLSIAWAIAESLHREGAQLILTYPNDKIKKRVD
MAAEAFDAVAVIECDVGSDESIQVCFDEIAKHWGVGDDKGIDGIVHAIGF
APADQLDGDFTQATTREGSQIAHDISSYSFVALAKAGRELLAARQGSLLT
LTYEGSISVLPNYNVMGMAKASLEASVRYLASSLGGEGIRVNAISAGPIR
TLAASGIKSFRRMLDVSEKIAPLQRNVSQEEVGNAALFLLSPWASGITGE
ILFVDAGFNTVAISEKIMM
Ligand information
Ligand IDNAD
InChIInChI=1S/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1
InChIKeyBAWFJGJZGIEFAR-NNYOXOHSSA-N
SMILES
SoftwareSMILES
CACTVS 3.341NC(=O)c1ccc[n+](c1)[C@@H]2O[C@H](CO[P]([O-])(=O)O[P@](O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n4cnc5c(N)ncnc45)[C@@H](O)[C@H]2O
OpenEye OEToolkits 1.5.0c1cc(c[n+](c1)C2C(C(C(O2)COP(=O)([O-])OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N
CACTVS 3.341NC(=O)c1ccc[n+](c1)[CH]2O[CH](CO[P]([O-])(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O
OpenEye OEToolkits 1.5.0c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N
FormulaC21 H27 N7 O14 P2
NameNICOTINAMIDE-ADENINE-DINUCLEOTIDE
ChEMBLCHEMBL1234613
DrugBankDB14128
ZINC
PDB chain7fcm Chain B Residue 301 [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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PDB7fcm Crystal structure of enoyl-ACP-reductase (FabI) from Moraxella catarrhalis in complex with the cofactor NAD
Resolution2.22 Å
Binding residue
(original residue number in PDB)		G12 A14 S18 I19 P39 D63 V64 A95 I96 L149 T150 K168 A194 G195 P196 I197 T199 A201
Binding residue
(residue number reindexed from 1)		G14 A16 S20 I21 P41 D65 V66 A97 I98 L151 T152 K170 A196 G197 P198 I199 T201 A203
Annotation score4
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Thu Nov 28 23:53:16 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 = '7fcm', asym_id = 'B', bs = 'BS02', title = 'Crystal structure of enoyl-ACP-reductase (FabI) ...ella catarrhalis in complex with the cofactor NAD'
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='7fcm', asym_id='B', bs='BS02', title='Crystal structure of enoyl-ACP-reductase (FabI) ...ella catarrhalis in complex with the cofactor NAD')
   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 = '0004318,0006633', uniprot = '', pdbid = '7fcm', asym_id = 'B'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0004318,0006633', uniprot='', pdbid='7fcm', 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>