Structure of PDB 7zz3 Chain A Binding Site BS06

Receptor Information
>7zz3 Chain A (length=1138) Species: 1358 (Lactococcus lactis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
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 IDACO
InChIInChI=1S/C23H38N7O17P3S/c1-12(31)51-7-6-25-14(32)4-5-26-21(35)18(34)23(2,3)9-44-50(41,42)47-49(39,40)43-8-13-17(46-48(36,37)38)16(33)22(45-13)30-11-29-15-19(24)27-10-28-20(15)30/h10-11,13,16-18,22,33-34H,4-9H2,1-3H3,(H,25,32)(H,26,35)(H,39,40)(H,41,42)(H2,24,27,28)(H2,36,37,38)/t13-,16-,17-,18+,22-/m1/s1
InChIKeyZSLZBFCDCINBPY-ZSJPKINUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O
CACTVS 3.341CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)CO[P@@](O)(=O)O[P@](O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O[P](O)(O)=O)n2cnc3c(N)ncnc23
ACDLabs 10.04O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O)C
CACTVS 3.341CC(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23
OpenEye OEToolkits 1.5.0CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O
FormulaC23 H38 N7 O17 P3 S
NameACETYL COENZYME *A
ChEMBLCHEMBL1230809
DrugBank
ZINCZINC000008551095
PDB chain7zz3 Chain A Residue 1206 [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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PDB7zz3 CryoEM structural exploration of catalytically active enzyme pyruvate carboxylase.
Resolution2.41 Å
Binding residue
(original residue number in PDB)		R362 H412 E413 R415 R417 R458 R460 K1015 T1016 L1017 R1044
Binding residue
(residue number reindexed from 1)		R363 H413 E414 R416 R418 R459 R461 K1016 T1017 L1018 R1045
Annotation score2
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Wed Nov 27 20:37:46 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 = 'BS06', 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='BS06', 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>