Structure of PDB 8a1a Chain A Binding Site BS02

Receptor Information

>8a1a Chain A (length=1345) Species: 32630 (synthetic construct)

SMVACETLKTKKMEVQIKKNFPSVLQYTMTDGKVMYGQSKDVRTVEINGT
NIELGDDDVTFKKVSDTEATYTLKVKDEAKKIDAVITVQITVKANQLHLN
VTKIKNNLSEGIPEGNGVEENAIQTLSFPNQSLVSVRSSQENAQFTGARM
SSNTQKPGDTNFAVTEDTNVTDSDYTYGFISGAGLSAGLWSNSEHDGTYV
AAPVRGGSQNTRVYATTQQTGDATSLGLASAPWYYHRTVTDSKGKKYTVA
ETALPQMAVAIAGDENEDGAVNWQDGAIAYRDIMNNPYKSEEVPELVAWR
IAMNFGSQAQNPFLTTLDNVKKVALNTDGLGQSVLLKGYGNEGHDSGHPD
YGDIGQRLGGADDMNTMMEEGSKYGARFGVHVNASEMYPEAKAFSEDMVR
RNSAGGLSYGWNWLDQGVGIDGIYDLASGSRVSRFADLSKEVGDNMDFIY
LDVWGNLTSSGSEDSWETRKMSKMINDNGWRMTTEWGSGNEYDSTFQHWA
ADLTYGGYTSKGENSEVMRFLRNHQKDSWVGDYPQYGGAANAPLLGGYNM
KDFEGWQGRNDYAAYIKNLYTHDVSTKFIQHFKVTRWVNNPLLTADNGNA
AAVSDPNTNNGNEQITLKDSNGNVVVVSRGSNDTSSAAYRQRTITFNGVK
VASGVVSAGDGSATGDESYLLPWMWDSFTGKLVKDSEQKLYHWNTKGGTT
TWTLPDSWKNLSSVKVYQLTDQGKTNEQTVAVSGGKVTLTADAETPYVVY
KGEAKQIQVNWSEGMHVVDAGFNGGSNTLTDNWTVSGSGKAEVEGDNNAM
LRLTGKVDVSQRLTDLKAGQKYALYVGVDNRSTGDASVTVTSGGKVLATN
STGKSIAKNYIKAYGHNTNSNTENGSSYFQNMYVFFTAPENGDATVTLSH
KSTDGAHTYFDDVRIVENQYSGITYEKDGTLKSLTNGFENNAQGIWPFVV
SGSEGVEDNRIHLSELHAPFTRAGWDVKKMDDVLDGTWSVKVNGLTQKGT
LVYQTIPQNVKFEAGAKYKVSFDYQSGSDDIYAIAVGQGEYSAGSVKLTN
LKKALGETGKAEFELTGGVNGDSWFGIYSTATAPDLQGSTGNAQDFGGYK
DFVLDNLKIERIESQTRTKAEAQDKVKEIRGKYDSKRAELSDAAWQQYQD
TLVKARVLINKNGATAEDFTKAYDILVALDEYMKLKDLDRKLLEAAMDGQ
DDEVRILMANGADVNAADEFGTTPLHLAAFAGHLEIVEVLLKTGADVNAD
DVLGDTPLHLAAYFGHLEIVEVLLKDGADVNAQDHWGWTPLHLAAWWGHL
EIVEVLLKHGADVNAQDCFGKTPFDLAIDNGNEDIAEVLQKAAKL

Ligand information

• Ligand ID: MN
• InChI: InChI=1S/Mn/q+2
• InChIKey: WAEMQWOKJMHJLA-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Mn+2]
  CACTVS 3.341: [Mn++]
• Formula: Mn
• Name: MANGANESE (II) ION
• DrugBank: DB06757
• PDB chain: 8a1a Chain A Residue 1701

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8a1a Structure of a hydrophobic leucinostatin derivative determined by host lattice display.
• Resolution: 2.05 Å
• Binding residue (original residue number in PDB): D601 N603 D605 A607 D612
• Binding residue (residue number reindexed from 1): D264 N266 D268 A270 D275
• Annotation score: 4

Gene Ontology

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UnboundLocalError

Python 3.6.8: /usr/bin/python3 Tue Nov 26 04:59:45 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 = '8a1a', asym_id = 'A', bs = 'BS02', title = 'Structure of a hydrophobic leucinostatin derivative determined by host lattice display.'

 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='8a1a', asym_id='A', bs='BS02', title='Structure of a hydrophobic leucinostatin derivative determined by host lattice display.')

   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 = '0030246,0033926', uniprot = '', pdbid = '8a1a', asym_id = 'A'

 /var/www/html/BioLiP/pdb.cgi in display_go(go='0030246,0033926', uniprot='', pdbid='8a1a', 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>