Structure of PDB 1po0 Chain A Binding Site BS01

Receptor Information
>1po0 Chain A (length=661) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ALTVVGDWLGDARENDVFEHAGARDVIRREDFAKTGATTMREVLNRIPGV
SAPENNGTGSHDLAMNFGIRGLNPRLASRSTVLMDGIPVPFAPYGQPQLS
LAPVSLGNMDAIDVVRGGGAVRYGPQSVGGVVNFVTRAIPQDFGIEAGVE
GQLSPTSSQNNPKETHNLMVGGTADNGFGTALLYSGTRGSDWREHSATRI
DDLMLKSKYAPDEVHTFNSLLQYYDGEADMPGGLSRADYDADRWQSTRPY
DRFWGRRKLASLGYQFQPDSQHKFNIQGFYTQTLRSGYLEQGKRITLSPR
NYWVRGIEPRYSQIFMIGPSAHEVGVGYRYLNESTHEMRYYTATSSGQLP
SGSSPYDRDTRSGTEAHAWYLDDKIDIGNWTITPGMRFEHIESYQNNAIT
GTHEEVSYNAPLPALNVLYHLTDSWNLYANTEGSFGTVQYSQIGKAVQSG
NVEPEKARTWELGTRYDDGALTAEMGLFLINFNNQYDSNQTNDTVTARGK
TRHTGLETQARYDLGTLTPTLDNVSIYASYAYVNAEIREKGDTYGNLVPF
SPKHKGTLGVDYKPGNWTFNLNSDFQSSQFADNANTVKESADGSTGRIPG
FMLWGARVAYDFGPQMADLNLAFGVKNIFDQDYFIRSYDDNNKGIYAGQP
RTLYMQGSLKF
Ligand information
Ligand IDFLC
InChIInChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-3
InChIKeyKRKNYBCHXYNGOX-UHFFFAOYSA-K
SMILES
SoftwareSMILES
CACTVS 3.341OC(CC([O-])=O)(CC([O-])=O)C([O-])=O
OpenEye OEToolkits 1.5.0C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O
ACDLabs 10.04O=C([O-])CC(O)(C([O-])=O)CC(=O)[O-]
FormulaC6 H5 O7
NameCITRATE ANION
ChEMBL
DrugBank
ZINC
PDB chain1po0 Chain A Residue 742 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1po0 Structural evidence for iron-free citrate and ferric citrate binding to the TonB-dependent outer membrane transporter FecA
Resolution2.15 Å
Binding residue
(original residue number in PDB)		T138 R155 R365 R380
Binding residue
(residue number reindexed from 1)		T58 R75 R285 R300
Annotation score3
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0015343 siderophore-iron transmembrane transporter activity
GO:0038023 signaling receptor activity
Biological Process
GO:0006355 regulation of DNA-templated transcription
GO:0006826 iron ion transport
GO:0006879 intracellular iron ion homeostasis
GO:0015891 siderophore transport
GO:0023019 signal transduction involved in regulation of gene expression
GO:0033214 siderophore-dependent iron import into cell
GO:0044718 siderophore transmembrane transport
GO:1990641 response to iron ion starvation
Cellular Component
GO:0009279 cell outer membrane
GO:0016020 membrane
GO:0019867 outer membrane
GO:1902495 transmembrane transporter complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1po0, PDBe:1po0, PDBj:1po0
PDBsum1po0
PubMed12948487
UniProtP13036|FECA_ECOLI Fe(3+) dicitrate transport protein FecA (Gene Name=fecA)

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