Structure of PDB 4d1a Chain A Binding Site BS01

Receptor Information
>4d1a Chain A (length=456) Species: 33918 (Microbacterium maritypicum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SLLNPSNAPTRYAERSVGPFSLAAIWFAMAIQVAIFIAAGQMTSSFQVWQ
VIVAIAAGCTIAVILLFFTQSAAIRWGINFTVAARMPFGIRGSLIPITLK
ALLSLFWFGFQTWLGALALDEITRLLTGFTNLPLWIVIFGAIQVVTTFYG
ITFIRWMNVFASPVLLAMGVYMVYLMLDGADVSLGEVMSMGGENPGMPFS
TAIMIFVGGWIAVVVSIHDIVKECKVDPNASREGQTKADARYATAQWLGM
VPASIIFGFIGAASMVLVGEWNPVIAITEVVGGVSIPMAILFQVFVLLAT
WSTNPAANLLSPAYTLCSTFPRVFTFKTGVIVSAVVGLLMMPWQFAGVLN
TFLNLLASALGPLAGIMISDYFLVRRRRISLHDLYRTKGIYTYWRGVNWV
ALAVYAVALAVSFLTPDLMFVTGLIAALLLHIPAMRWVAKTFPLFSEAES
RNEDYL
Ligand information
Ligand IDI5H
InChIInChI=1S/C12H11N3O2/c16-11-10(14-12(17)15-11)5-7-6-13-9-4-2-1-3-8(7)9/h1-4,6,10,13H,5H2,(H2,14,15,16,17)/t10-/m0/s1
InChIKeyRUUREKIGAKIKIL-JTQLQIEISA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1ccc2c(c1)c(c[nH]2)C[C@H]3C(=O)NC(=O)N3
ACDLabs 12.01O=C1NC(=O)C(N1)Cc2cnc3ccccc23
OpenEye OEToolkits 1.7.6c1ccc2c(c1)c(c[nH]2)CC3C(=O)NC(=O)N3
CACTVS 3.385O=C1N[CH](Cc2c[nH]c3ccccc23)C(=O)N1
CACTVS 3.385O=C1N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1
FormulaC12 H11 N3 O2
Name(5S)-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione
ChEMBLCHEMBL1958130
DrugBank
ZINCZINC000001682922
PDB chain4d1a Chain A Residue 1467 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4d1a Molecular Mechanism of Ligand Recognition by Membrane Transport Protein, Mhp1.
Resolution3.4 Å
Binding residue
(original residue number in PDB)		Q42 A44 W117 G219 W220 N318
Binding residue
(residue number reindexed from 1)		Q32 A34 W107 G209 W210 N308
Annotation score1
Binding affinityPDBbind-CN: -logKd/Ki=4.72,Kd=19uM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0015205 nucleobase transmembrane transporter activity
GO:0022857 transmembrane transporter activity
GO:0046872 metal ion binding
Biological Process
GO:0015851 nucleobase transport
GO:0055085 transmembrane transport
GO:0071705 nitrogen compound transport
Cellular Component
GO:0005886 plasma membrane
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4d1a, PDBe:4d1a, PDBj:4d1a
PDBsum4d1a
PubMed24952894
UniProtD6R8X8|HYUP_MICLQ Hydantoin permease (Gene Name=hyuP)

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