Structure of PDB 7zz3 Chain A Binding Site BS01

Receptor Information

>7zz3 Chain A (length=1138) Species: 1358 (Lactococcus lactis)

HMKKLLVANRGEIAVRVFRACNELGLSTVAVYAREDEYSVHRFKADESYL
IGQGKKPIDAYLDIDDIIRVALESGADAIHPGYGLLSENLEFATKVRAAG
LVFVGPELHHLDIFGDKIKAKAAADEAKVPGIPGTNGAVDIDGALEFAKT
YGYPVMIKAALGGGGRGMRVARNDAEMHDGYARAKSEAIGAFGSGEIYVE
KYIENPKHIEVQILGDRHGNIIHLHERDCSVQRRNQKVIEIAPAVGLSPD
FRNEICEAAVKLCKNVGYVNAGTVEFLVKDDKFYFIEVNPRVQVEHTITE
LITGVDIVQAQILIAQGKDLHREIGLPAQSEIPLLGSAIQCRITTEDPQN
GFLPDTGKIDTYRSPGGFGIRLDVGNAYAGYEVTPYFDSLLVKVCTFANE
FSDSVRKMDRVLHEFRIRGVKTNIPFLINVIANENFTSGQATTTFIDNTP
SLFNFPRLRDRGTKTLHYLSMITVNGFPGIENTEKRHFEEPRQPLLNLEK
KKTAKNILDEQGADAVVDYVKNTKEVLLTDTTLRDAHQSLLATRLRLQDM
KGIAQAIDQGLPELFSAEMWGGATFDVAYRFLNESPWYRLRKLRKLMPNT
MFQMLFRGSNAVGYQNYPDNVIEEFIRVAAHEGIDVFRIFDSLNWLPQME
KSIQAVRDNGKIAEATICYTGDILDPSRPKYNIQYYKDLAKELEATGAHI
LAVKDMAGLLKPQAAYRLISELKDTVDLPIHLHTHDTSGNGIITYSGATQ
AGVDIIDVATASLAGGTSQPSMQSIYYALEHGPRHASINVKNAEQIDHYW
EDVRKYYAPFEAGITSPQTEVYMHEMPGGQYTNLKSQAAAVGLGHRFDEI
KQMYRKVNMMFGDIIKVTPSSKVVGDMALFMIQNDLTEEDVYARGNELNF
PESVVSFFRGDLGQPVGGFPEKLQKIIVKDKAVITDRPGLHAEKVDFETV
KADLEQKIGYEPGDHEVISYIMYPQVFLDYQKMQREFGAVTLLDTPTFLH
GMRLNEKIEVQIEKGKTLSIRLDEIGEPDLAGNRVLFFNLNGQRREVVIN
DQSVQAQVVAKRKAETGNPNQIGATMPGSVLEILVKAGDKVQKGQALMVT
EAMKMETTIEAPFDGEIVDLHVVKGEAIQTQDLLIEIN

Ligand information

• Ligand ID: BTN
• InChI: InChI=1S/C10H16N2O3S/c13-8(14)4-2-1-3-7-9-6(5-16-7)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15)/t6-,7-,9-/m0/s1
• InChIKey: YBJHBAHKTGYVGT-ZKWXMUAHSA-N
• SMILES:
  CACTVS 3.385: OC(=O)CCCC[CH]1SC[CH]2NC(=O)N[CH]12
  CACTVS 3.385: OC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12
  ACDLabs 12.01: O=C1NC2C(SCC2N1)CCCCC(=O)O
  OpenEye OEToolkits 1.7.6: C1C2C(C(S1)CCCCC(=O)O)NC(=O)N2
  OpenEye OEToolkits 1.7.6: C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2
• Formula: C10 H16 N2 O3 S
• Name: BIOTIN
• ChEMBL: CHEMBL857
• DrugBank: DB00121
• ZINC: ZINC000035024346
• PDB chain: 7zz3 Chain A Residue 1201

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7zz3 CryoEM structural exploration of catalytically active enzyme pyruvate carboxylase.
• Resolution: 2.41 Å
• Binding residue (original residue number in PDB): G83 V293 R341 K1103
• Binding residue (residue number reindexed from 1): G84 V294 R342 K1104
• Annotation score: 1

Gene Ontology

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UnboundLocalError

Python 3.6.8: /usr/bin/python3 Wed Nov 27 20:21:46 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 = '7zz3', asym_id = 'A', bs = 'BS01', title = 'CryoEM structural exploration of catalytically active enzyme pyruvate carboxylase.'

 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='7zz3', asym_id='A', bs='BS01', title='CryoEM structural exploration of catalytically active enzyme pyruvate carboxylase.')

   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 = '0003824,0004736,0005524,0006090,0006094,0046872', uniprot = '', pdbid = '7zz3', asym_id = 'A'

 /var/www/html/BioLiP/pdb.cgi in display_go(go='0003824,0004736,0005524,0006090,0006094,0046872', uniprot='', pdbid='7zz3', 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>