Structure of PDB 6z1m Chain B Binding Site BS01

Receptor Information
>6z1m Chain B (length=422) Species: 32630 (synthetic construct) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SLKFPKDFLWGAATAAYQIEGAANEDGRGPSIWDTFSHTPGKVHNGDNGD
VACDHYHRYKEDVELMKELGLNAYRFSISWPRILPEGEGKVNQKGLDFYN
NLIDELLENGIEPFVTLYHWDLPQALQDKGGWENRETVDAFAEYARVCFE
RFGDRVKYWITFNEPNVFAVLGYLSGVHPPGMKDLKKAFRAAHNLLLAHA
RAVKAYREISQNGQIGITLNLSPVYNEEEDKAAAERADQFNNWFLDPIFK
GKYEHMLERLGEQIAANGGELPEITDEMEILSASLDFIGLNYYTSNLVRT
DMGWEIYPEGLYDLLKRIHEKYNLPIYITENGMAVDDEVEDGAVHDTNRI
DYLKEHLEAVHKAIEEGVNVRGYFVWSLMDNFEWANGYSKRFGLIYVDYK
TQKRTPKKSAYWYREVIKSNGL
Ligand information
Ligand IDHEM
InChIInChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);/q;+2/p-2/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;
InChIKeyKABFMIBPWCXCRK-RGGAHWMASA-L
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O
CACTVS 3.385CC1=C(CCC(O)=O)C2=Cc3n4[Fe]5|6|N2=C1C=c7n5c(=CC8=N|6C(=Cc4c(C)c3CCC(O)=O)C(=C8C=C)C)c(C)c7C=C
ACDLabs 12.01C=1c3c(c(c4C=C5C(=C(C=6C=C7C(=C(C8=CC=2C(=C(C=1N=2[Fe](n34)(N5=6)N78)CCC(=O)O)C)\C=C)C)\C=C)C)C)CCC(=O)O
FormulaC34 H32 Fe N4 O4
NamePROTOPORPHYRIN IX CONTAINING FE;
HEME
ChEMBL
DrugBankDB18267
ZINC
PDB chain6z1m Chain B Residue 501 [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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PDB6z1m Heme-binding enables allosteric modulation in an ancient TIM-barrel glycosidase.
Resolution2.45 Å
Binding residue
(original residue number in PDB)		P172 N173 L202 L203 H206 L226 L228 N252 F255 K261 Y264 L296 R345 Y350
Binding residue
(residue number reindexed from 1)		P165 N166 L195 L196 H199 L219 L221 N241 F244 K250 Y253 L285 R317 Y322
Annotation score4
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Thu Nov 28 00:54:45 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 = '6z1m', asym_id = 'B', bs = 'BS01', title = 'Heme-binding enables allosteric modulation in an ancient TIM-barrel glycosidase.'
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='6z1m', asym_id='B', bs='BS01', title='Heme-binding enables allosteric modulation in an ancient TIM-barrel glycosidase.')
   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 = '0004553,0005975,0008422,0030245', uniprot = '', pdbid = '6z1m', asym_id = 'B'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0004553,0005975,0008422,0030245', uniprot='', pdbid='6z1m', 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>