Structure of PDB 4mmp Chain A Binding Site BS01

Receptor Information
>4mmp Chain A (length=308) Species: 1169409 (Pasteurella multocida subsp. gallicida P1059) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GADYDLKFGMVAGPSSNEYKAVEFFAKEVKEKSNGKIDVAIFPSSQLGDD
RVMIKQLKDGALDFTLGESARFQIYFPEAEVFALPYMIPNFETSKKALLD
TKFGQGLLKKIDKELNVQVLSVAYNGTRQTTSNRAINSIEDMKGLKLRVP
NAATNLAYAKYVGAAPTPMAFSEVYLALQTNSVDGQENPLPTIQAQKFYE
VQKYLALTNHILNDQLYLISNDTLADLPEDLQKVVKDAAAKAAEYHTKLF
VDGENSLVEFFKSQGVTVTQPDLKPFKAALTPYYDEYLKKNGEVGKMAIE
EISNLAKL
Ligand information
Ligand IDSLB
InChIInChI=1S/C11H19NO9/c1-4(14)12-7-5(15)2-11(20,10(18)19)21-9(7)8(17)6(16)3-13/h5-9,13,15-17,20H,2-3H2,1H3,(H,12,14)(H,18,19)/t5-,6+,7+,8+,9+,11-/m0/s1
InChIKeySQVRNKJHWKZAKO-PFQGKNLYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(=O)N[C@@H]1[C@H](C[C@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O
CACTVS 3.341CC(=O)N[CH]1[CH](O)C[C](O)(O[CH]1[CH](O)[CH](O)CO)C(O)=O
OpenEye OEToolkits 1.5.0CC(=O)NC1C(CC(OC1C(C(CO)O)O)(C(=O)O)O)O
ACDLabs 10.04O=C(O)C1(O)OC(C(O)C(O)CO)C(NC(=O)C)C(O)C1
CACTVS 3.341CC(=O)N[C@@H]1[C@@H](O)C[C@](O)(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O
FormulaC11 H19 N O9
NameN-acetyl-beta-neuraminic acid;
N-acetylneuraminic acid;
sialic acid;
O-sialic acid;
5-N-ACETYL-BETA-D-NEURAMINIC ACID;
BETA-SIALIC ACID
ChEMBLCHEMBL165084
DrugBankDB04265
ZINCZINC000003793840
PDB chain4mmp Chain A Residue 401 [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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PDB4mmp Bacterial periplasmic sialic acid-binding proteins exhibit a conserved binding site.
Resolution1.57 Å
Binding residue
(original residue number in PDB)
V12 D51 L67 E69 R72 R129 R149 F172 N189 Q216
Binding residue
(residue number reindexed from 1)
V11 D50 L66 E68 R71 R128 R148 F171 N188 Q215
Annotation score4
Binding affinityMOAD: Kd=19.7nM
PDBbind-CN: -logKd/Ki=7.71,Kd=19.7nM
Gene Ontology
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UnboundLocalError
Python 3.6.8: /usr/bin/python3
Wed Nov 27 19:45:19 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 = '4mmp', asym_id = 'A', bs = 'BS01', title = 'Bacterial periplasmic sialic acid-binding proteins exhibit a conserved binding site.'
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='4mmp', asym_id='A', bs='BS01', title='Bacterial periplasmic sialic acid-binding proteins exhibit a conserved binding site.')
   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 = '0030288,0055085', uniprot = '', pdbid = '4mmp', asym_id = 'A'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0030288,0055085', uniprot='', pdbid='4mmp', 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>