Structure of PDB 2w77 Chain B Binding Site BS02

Receptor Information

>2w77 Chain B (length=754) Species: 208964 (Pseudomonas aeruginosa PAO1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

QEVEFDIPPQALGSALQEFGRQADIQVLYRPEEVRNKRSSAIKGKLEPNQ
AITELLRGTGASVDFQGNAITISVQLGTITEDSGSYTPGTIATATRLVLT
PRETPQSITVVTRQNMDDFGLNNIDDVMRHTPGITVSAYDTDRNNYYARG
FSINNFQYDGIPSTARNVGYSAGNTLSDMAIYDRVEVLKGATGLLTGAGS
LGATINLIRKKPTHEFKGHVELGAGSWDNYRSELDVSGPLTESGNVRGRA
VAAYQDKHSFMDHYERKTSVYYGILEFDLNPDTMLTVGADYQDNDPKGSG
WSGSFPLFDSQGNRNDVSRSFNNGAKWSSWEQYTRTVFANLEHNFANGWV
GKVQLDHKINGYHAPLGAIMGDWPAPDNSAKIVAQKYTGETKSNSLDIYL
TGPFQFLGREHELVVGTSASFSHWEGKSYWNLRNYDNTTDDFINWDGDIG
KPDWGTPSQYIDDKTRQLGSYMTARFNVTDDLNLFLGGRVVDYRVTGLNP
TIRESGRFIPYVGAVYDLNDTYSVYASYTDIFMPQDSWYRDSSNKLLEPD
EGQNYEIGIKGEYLDGRLNTSLAYFEIHEENRAEEDALYNSKPTNPAITY
AYKGIKAKTKGYEAEISGELAPGWQVQAGYTHKIIRDDSGKKVSTWEPQD
QLSLYTSYKFKGALDKLTVGGGARWQGKSWQMVYNNPRSRWEKFSQEDYW
LVDLMARYQITDKLSASVNVNNVFDKTYYTNIGFYTSASYGDPRNLMFST
RWDF

Ligand information

Ligand ID

PVE

InChI

InChI=1S/C17H17N3O7/c21-12-6-8-5-9(19-14(23)1-2-15(24)25)16-18-4-3-10(17(26)27)20(16)11(8)7-13(12)22/h5-7,10H,1-4H2,(H5,18,19,21,22,23,24,25,26,27)/p+1/t10-/m0/s1

InChIKey

PKIXPGNFUHEBHN-JTQLQIEISA-O

SMILES

Software	SMILES
OpenEye OEToolkits 1.5.0	c1c2cc(c(cc2[n+]3c(c1NC(=O)CCC(=O)O)NCCC3C(=O)O)O)O
CACTVS 3.341	OC(=O)CCC(=O)Nc1cc2cc(O)c(O)cc2[n+]3[CH](CCNc13)C(O)=O
OpenEye OEToolkits 1.5.0	c1c2cc(c(cc2[n+]3c(c1NC(=O)CCC(=O)O)NCC[C@H]3C(=O)O)O)O
CACTVS 3.341	OC(=O)CCC(=O)Nc1cc2cc(O)c(O)cc2[n+]3[C@@H](CCNc13)C(O)=O
ACDLabs 10.04	O=C(O)CCC(=O)Nc1cc3c([n+]2c1NCCC2C(=O)O)cc(O)c(O)c3

Formula

C17 H18 N3 O7

Name

(1S)-1-CARBOXY-5-[(3-CARBOXYPROPANOYL)AMINO]-8,9-DIHYDROXY-1,2,3,4-TETRAHYDROPYRIMIDO[1,2-A]QUINOLIN-11-IUM

PDB chain

2w77 Chain C Residue 1 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	2w77 Fpva Bound to Non-Cognate Pyoverdines: Molecular Basis of Siderophore Recognition by an Iron Transporter.
Resolution	2.9 Å
Binding residue (original residue number in PDB)	Y200 R204 S213 F795 Y796
Binding residue (residue number reindexed from 1)	Y139 R143 S152 F734 Y735
Annotation score	1

Enzymatic activity

Enzyme Commision number

Gene Ontology

	Molecular Function
GO:0015343	siderophore-iron transmembrane transporter activity
GO:0015344	siderophore uptake transmembrane transporter activity
GO:0038023	signaling receptor activity

	Biological Process
GO:0002049	pyoverdine biosynthetic process
GO:0006826	iron ion transport
GO:0015891	siderophore transport
GO:0033214	siderophore-dependent iron import into cell
GO:0044718	siderophore transmembrane transport

	Cellular Component
GO:0009279	cell outer membrane
GO:0016020	membrane
GO:0019867	outer membrane

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Cellular Component

External links

PDB	RCSB:2w77, PDBe:2w77, PDBj:2w77
PDBsum	2w77
PubMed	19504741
UniProt	P48632\|FPVA_PSEAE Ferripyoverdine receptor (Gene Name=fpvA)

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