Structure of PDB 1xkh Chain A Binding Site BS02

Receptor Information

>1xkh Chain A (length=687) Species: 287 (Pseudomonas aeruginosa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

ATMITSNQLGTITEDSGSYTPGTIATATRLVLTPRETPQSITVVTRQNMD
DFGLNNIDDVMRHTPGITVSAYDTDRNNYYARGFSINNFQYDGIPSTARN
VGYSAGNTLSDMAIYDRVEVLKGATGLLTGAGSLGATINLIRKKPTHEFK
GHVELGAGSWDNYRSELDVSGPLTESGNVRGRAVAAYQDKHSFMDHYERK
TSVYYGILEFDLNPDTMLTVGADYQDNDPKGSGWSGSFPLFDSQGNRNDV
SRSFNNGAKWSSWEQYTRTVFANLEHNFANGWVGKVQLDHKINGYHAPLG
AIMGDWPAPDNSAKIVAQKYTGETKSNSLDIYLTGPFQFLGREHELVVGT
SASFSHWEGKSYWNLRNYDNTTDDFINWDGDIGKPDWGTPSQYIDDKTRQ
LGSYMTARFNVTDDLNLFLGGRVVDYRVTGLNPTIRESGRFIPYVGAVYD
LNDTYSVYASYTDIFMPQDSWYRDSSNKLLEPDEGQNYEIGIKGEYLDGR
LNTSLAYFEIHEENRAEEDALYNSKPTNPAITYAYKGIKAKTKGYEAEIS
GELAPGWQVQAGYTHKIIRDDSGKKVSTWEPQDQLSLYTSYKFKGALDKL
TVGGGARWQGKSWQMVYNNPRSRWEKFSQEDYWLVDLMARYQITDKLSAS
VNVNNVFDKTYYTNIGFYTSASYGDPRNLMFSTRWDF

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

1xkh Chain I 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	1xkh The Crystal Structure of the Pyoverdine Outer Membrane Receptor FpvA from Pseudomonas aeruginosa at 3.6A Resolution
Resolution	3.6 Å
Binding residue (original residue number in PDB)	Y200 G230 Y796
Binding residue (residue number reindexed from 1)	Y72 G102 Y668
Annotation score	1

Enzymatic activity

Enzyme Commision number

Gene Ontology

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

	Biological Process
GO:0015891	siderophore transport

	Cellular Component
GO:0009279	cell outer membrane

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Cellular Component

External links

PDB	RCSB:1xkh, PDBe:1xkh, PDBj:1xkh
PDBsum	1xkh
PubMed	15733922
UniProt	P48632\|FPVA_PSEAE Ferripyoverdine receptor (Gene Name=fpvA)

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