Structure of PDB 4jsd Chain A Binding Site BS03

Receptor Information
>4jsd Chain A (length=582) Species: 243274 (Thermotoga maritima MSB8) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SLPREDTVYIGGALWGPATTWNLYAPQSTWGTDQFMYLPAFQYDLGRDAW
IPVIAERYEFVDDKTLRIYIRPEARWSDGVPITADDFVYALELTKELGIG
PGGGWDTYIEYVKAVDTKVVEFKAKEENLNYFQFLSYSLGAQPMPKHVYE
RIRAQMNIKDWINDKPEEQVVSGPYKLYYYDPNIVVYQRVDDWWGKDIFG
LPRPKYLAHVIYKDNPSASLAFERGDIDWNGLFIPSVWELWEKKGLPVGT
WYKKEPYFIPDGVGFVYVNNTKPGLSDPAVRKAIAYAIPYNEMLKKAYFG
YGSQAHPSMVIDLFEPYKQYIDYELAKKTFGTEDGRIPFDLDMANKILDE
AGYKKGPDGVRVGPDGTKLGPYTISVPYGWTDWMMMCEMIAKNLRSIGID
VKTEFPDFSVWADRMTKGTFDLIISWSVGPSFDHPFNIYRFVLDKRLSKP
VGEVTWAGDWERYDNDEVVELLDKAVSTLDPEVRKQAYFRIQQIIYRDMP
SIPAFYTAHWYEYSTKYWINWPSEDNPAWFRPSPWHADAWPTLFIISKKS
DPQPVPSWLGTVDEGGIEIPTAKIFEDLQKAT
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 chain4jsd Chain A Residue 603 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4jsd Molecular details of ligand selectivity determinants in a promiscuous beta-glucan periplasmic binding protein.
Resolution2.05 Å
Binding residue
(original residue number in PDB)		D33 Y37 Q142
Binding residue
(residue number reindexed from 1)		D33 Y37 Q142
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0046872 metal ion binding
GO:1904680 peptide transmembrane transporter activity
Biological Process
GO:0015833 peptide transport
GO:0055085 transmembrane transport
Cellular Component
GO:0030288 outer membrane-bounded periplasmic space
GO:0043190 ATP-binding cassette (ABC) transporter complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4jsd, PDBe:4jsd, PDBj:4jsd
PDBsum4jsd
PubMed24090243
UniProtQ9WXN8

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