Structure of PDB 3tlz Chain B Binding Site BS01

Receptor Information
>3tlz Chain B (length=335) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PLLAAPLAVGDTIGFFSSSAPATVTAKNRFFRGVEFLQRKGFKLVSGKLT
GKTDFYRSGTIKERAQEFNELVYNPDITCIMSTIGGDNSNSLLPFLDYDA
IIANPKIIIGYSDTTALLAGIYAKTGLITFYGPALIPSFGEHPPLVDITY
ESFIKILTRKQSGIYTYTLPEKWSDESINFNENKILRPKKLYKNNCAFYG
SGKVEGRVIGGNLNTLTGIWGSEWMPEIRNGDILFIEDSRKSIATVERLF
SMLKLNRVFDKVSAIILGKHELFDCAGSKRRPYEVLTEVLDGKQIPVLDG
FDCSHTHPMLTLPLGVKLAIDFDNKNISITEQYLS
Ligand information
Ligand IDAMP
InChIInChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyUDMBCSSLTHHNCD-KQYNXXCUSA-N
SMILES
SoftwareSMILES
CACTVS 3.370Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O
CACTVS 3.370Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.7.6c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N
ACDLabs 12.01O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.7.6c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)O)N
FormulaC10 H14 N5 O7 P
NameADENOSINE MONOPHOSPHATE
ChEMBLCHEMBL752
DrugBankDB00131
ZINCZINC000003860156
PDB chain3tlz Chain B Residue 500 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3tlz Structure and function of a serine carboxypeptidase adapted for degradation of the protein synthesis antibiotic microcin C7.
Resolution1.5 Å
Binding residue
(original residue number in PDB)		G91 S118 F186 R246 E277 H311
Binding residue
(residue number reindexed from 1)		G85 S112 F180 R240 E271 H305
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0016787 hydrolase activity
GO:0042802 identical protein binding
Biological Process
GO:0030153 bacteriocin immunity

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:3tlz, PDBe:3tlz, PDBj:3tlz
PDBsum3tlz
PubMed22388748
UniProtQ47511|MCCF_ECOLX Microcin C7 self-immunity protein MccF (Gene Name=mccF)

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