Structure of PDB 1nnf Chain A Binding Site BS02

Receptor Information
>1nnf Chain A (length=308) Species: 727 (Haemophilus influenzae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DITVYNGQQKEAATAVAKAFEQETGIKVTLNSGKSEQLAGQLKEEGDKTP
ADVFYTEQTATFADLSEAGLLAPISEQTIQQTAQKGVPLAPKKDWIALSG
RSRVVVYDHTKLSEKDMEKSVLDYATPKWKGKIGYVSTSGAFLEQVVALS
KMKGDKVALNWLKGLKENGKLYAKNSVALQAVENGEVPAALINNYYWYNL
AKEKGVENLKSRLYFVRHQDPGALVSYSGAAVLKASKNQAEAQKFVDFLA
SKKGQEALVAARAEYPLRADVVSPFNLEPYEKLEAPVVSATTAQDKEHAI
KLIEEAGL
Ligand information
Ligand IDEDT
InChIInChI=1S/C10H16N2O8/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)
InChIKeyKCXVZYZYPLLWCC-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)CN(CC(=O)O)CCN(CC(=O)O)CC(=O)O
CACTVS 3.341OC(=O)CN(CCN(CC(O)=O)CC(O)=O)CC(O)=O
OpenEye OEToolkits 1.5.0C(CN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O
FormulaC10 H16 N2 O8
Name{[-(BIS-CARBOXYMETHYL-AMINO)-ETHYL]-CARBOXYMETHYL-AMINO}-ACETIC ACID
ChEMBLCHEMBL858
DrugBankDB00974
ZINCZINC000019364242
PDB chain1nnf Chain A Residue 400 [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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PDB1nnf High Resolution Structure of an Alternate Form of the Ferric ion Binding Protein from Haemophilus influenzae
Resolution1.1 Å
Binding residue
(original residue number in PDB)		Q9 E57 R101 S139 A141 N175 N193 Y195 Y196 R262
Binding residue
(residue number reindexed from 1)		Q9 E57 R101 S139 A141 N175 N193 Y195 Y196 R262
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0046872 metal ion binding
Biological Process
GO:0006826 iron ion transport
GO:0055085 transmembrane transport
Cellular Component
GO:0042597 periplasmic space

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1nnf, PDBe:1nnf, PDBj:1nnf
PDBsum1nnf
PubMed12533539
UniProtP35755|FBPA_HAEIN Iron-utilization periplasmic protein (Gene Name=fbpA)

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