Structure of PDB 1po0 Chain A Binding Site BS02

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 743 [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)		R155 Q176 Q178 R380 R438
Binding residue
(residue number reindexed from 1)		R75 Q96 Q98 R300 R358
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
View graph for
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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