Structure of PDB 9c4o Chain A Binding Site BS01

Receptor Information
>9c4o Chain A (length=661) Species: 679895 (Escherichia coli BW25113) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SELDTPAAVSVVDGEEMRLATPRINLSESLTGVPGLQVQNRQNYAQDLQL
SIRGFGSRSTYGIRGIRLYVDGIPATMPDGQGQTSNIDLSSVQNVEVLRG
PFSALYGNASGGVMNVTTQTGQQPPTIEASSYYGSFGSWRYGLKATGATG
DGTQPGDVDYTVSTTRFTTHGYRDHSGAQKNLANAKLGVRIDEASKLSLI
FNSVDIKADDPGGLTKAEWKANPQQAPRAEQYDTRKTIKQTQAGLRYERS
LSSRDDMSVMMYAGERETTQYQSIPMAPQLNPSHAGGVITLQRHYQGIDS
RWTHRGELGVPVTFTTGLNYENMSENRKGYNNFRLNSGMPEYGQKGELRR
DERNLMWNIDPYLQTQWQLSEKLSLDAGVRYSSVWFDSNDHYVTPGNGDD
SGDASYHKWLPAGSLKYAMTDAWNIYLAAGRGFETPTINELSYRADGQSG
MNLGLKPSTNDTIEIGSKTRIGDGLLSLALFQTDTDDEIVVDSSSGGRTT
YKNAGKTRRQGAELAWDQRFAGDFRVNASWTWLDATYRSNVCNEQDCNGN
RMPGIARNMGFASIGYVPEDGWYAGTEARYMGDIMADDENTAKAPSYTLV
GLFTGYKYNYHNLTVDLFGRVDNLFDKEYVGSVIVNESNGRYYEPSPGRN
YGVGMNIAWRF
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain9c4o Chain A Residue 801 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB9c4o High-affinity PQQ import is widespread in Gram-negative bacteria.
Resolution1.99 Å
Binding residue
(original residue number in PDB)		D428 Y430 N435 G436 D438
Binding residue
(residue number reindexed from 1)		D390 Y392 N397 G398 D400
Annotation score4
Gene Ontology
Molecular Function
GO:0015344 siderophore uptake transmembrane transporter activity
Biological Process
GO:0030003 intracellular monoatomic cation homeostasis
GO:0033214 siderophore-dependent iron import into cell
GO:0044718 siderophore transmembrane transport
Cellular Component
GO:0009279 cell outer membrane
GO:0016020 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:9c4o, PDBe:9c4o, PDBj:9c4o
PDBsum9c4o
PubMed
UniProtP76115|PQQU_ECOLI Pyrroloquinoline quinone transporter (Gene Name=pqqU)

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