Structure of PDB 3gfv Chain B Binding Site BS01

Receptor Information
>3gfv Chain B (length=285) Species: 224308 (Bacillus subtilis subsp. subtilis str. 168) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KEQITVKHQLDKNGTKVPKNPKKVVVFDFGSLDTLDKLGLDDIVAGLPKQ
VLPKYLSKFKDDKYADVGSLKEPDFDKVAELDPDLIIISARQSESYKEFS
KIAPTIYLGVDTAKYMESFKSDAETIGKIFDKEDKVKDELANIDHSIADV
KKTAEKLNKNGLVIMANDGKISAFGPKSRYGLIHDVFGVAPADQNIKAST
HGQSVSYEYISKTNPDYLFVIDRGTAIGETSSTKQVVENDYVKNVNAVKN
GHVIYLDSATWYLSGGGLESMTQMIKEVKDGLEKE
Ligand information
Ligand IDASN
InChIInChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m0/s1
InChIKeyDCXYFEDJOCDNAF-REOHCLBHSA-N
SMILES
SoftwareSMILES
CACTVS 3.370N[C@@H](CC(N)=O)C(O)=O
ACDLabs 12.01O=C(N)CC(N)C(=O)O
CACTVS 3.370N[CH](CC(N)=O)C(O)=O
OpenEye OEToolkits 1.7.2C(C(C(=O)O)N)C(=O)N
OpenEye OEToolkits 1.7.2C([C@@H](C(=O)O)N)C(=O)N
FormulaC4 H8 N2 O3
NameASPARAGINE
ChEMBLCHEMBL58832
DrugBankDB00174
ZINCZINC000001532556
PDB chain3gfv Chain B Residue 304 [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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PDB3gfv Characterization of a Bacillus subtilis transporter for petrobactin, an anthrax stealth siderophore.
Resolution1.75 Å
Binding residue
(original residue number in PDB)		H265 E298
Binding residue
(residue number reindexed from 1)		H252 E285
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0006826 iron ion transport
Cellular Component
GO:0005886 plasma membrane
GO:0030288 outer membrane-bounded periplasmic space
GO:0045121 membrane raft

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Biological Process
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Cellular Component
External links
PDB RCSB:3gfv, PDBe:3gfv, PDBj:3gfv
PDBsum3gfv
PubMed19955416
UniProtP94421|YCLQ_BACSU Petrobactin-binding protein YclQ (Gene Name=yclQ)

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