Structure of PDB 6pi5 Chain A Binding Site BS01

Receptor Information
>6pi5 Chain A (length=334) Species: 47660 (Pseudomonas sp. ADP) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QEPLKVAFVYAGPVSDAGYTYAHDQGRLAMEKNLGAKVKSSYVENVPEGA
DAERVIRKLAADGNKLIFTTSFGFMNPTERVAKAFPNVVFEHATGVKLAK
NLGVYESRQYEGTYLQGVLAAKMTKTGVIGFVGSFPVPEVIRNINAYTLG
AQSVNPKIKTKVIWVSTWYDPAKERQAAETLIAQGADVLTQNTNSPATLQ
VAQEKGKYAFGCDADMSKFAPKAHLTASISNWGDFYTKTAQAVMAGTWKS
EEVHWGMAEGMVKMAPLNAAVPPDAAKLFEEKKAAMVSGKIKPFQGPLKD
QSGAVKVAAGSDLPLASLKGMNWYVQGVEGTIPK
Ligand information
Ligand IDGUN
InChIInChI=1S/C5H5N5O/c6-5-9-3-2(4(11)10-5)7-1-8-3/h1H,(H4,6,7,8,9,10,11)
InChIKeyUYTPUPDQBNUYGX-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341NC1=Nc2[nH]cnc2C(=O)N1
ACDLabs 10.04O=C1c2ncnc2N=C(N1)N
OpenEye OEToolkits 1.5.0c1[nH]c2c(n1)C(=O)NC(=N2)N
FormulaC5 H5 N5 O
NameGUANINE
ChEMBLCHEMBL219568
DrugBankDB02377
ZINCZINC000000895129
PDB chain6pi5 Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6pi5 The evolving story of AtzT, a periplasmic binding protein.
Resolution1.67 Å
Binding residue
(original residue number in PDB)		Y45 S97 F98 E165 W194 N220
Binding residue
(residue number reindexed from 1)		Y19 S71 F72 E139 W168 N194
Annotation score4
Binding affinityMOAD: Kd=0.11uM
PDBbind-CN: -logKd/Ki=6.96,Kd=0.11uM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0046872 metal ion binding
Cellular Component
GO:0005886 plasma membrane

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:6pi5, PDBe:6pi5, PDBj:6pi5
PDBsum6pi5
PubMed31692473
UniProtQ936X6

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