Structure of PDB 4d1d Chain A Binding Site BS02

Receptor Information
>4d1d 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 ID5ND
InChIInChI=1S/C14H12N2O2/c17-13-12(15-14(18)16-13)8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7,12H,8H2,(H2,15,16,17,18)/t12-/m1/s1
InChIKeyCHRJCAZBQNADBP-GFCCVEGCSA-N
SMILES
SoftwareSMILES
CACTVS 3.385O=C1N[CH](Cc2ccc3ccccc3c2)C(=O)N1
ACDLabs 12.01O=C1NC(=O)C(N1)Cc2ccc3c(c2)cccc3
CACTVS 3.385O=C1N[C@H](Cc2ccc3ccccc3c2)C(=O)N1
OpenEye OEToolkits 1.7.6c1ccc2cc(ccc2c1)C[C@@H]3C(=O)NC(=O)N3
OpenEye OEToolkits 1.7.6c1ccc2cc(ccc2c1)CC3C(=O)NC(=O)N3
FormulaC14 H12 N2 O2
Name5-(2-NAPHTHYLMETHYL)-D-HYDANTOIN
ChEMBL
DrugBank
ZINCZINC000005777871
PDB chain4d1d Chain A Residue 1468 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4d1d Molecular Mechanism of Ligand Recognition by Membrane Transport Protein, Mhp1.
Resolution3.7 Å
Binding residue
(original residue number in PDB)		Q42 A48 W117 Q121 F216 G219 W220 N318
Binding residue
(residue number reindexed from 1)		Q32 A38 W107 Q111 F206 G209 W210 N308
Annotation score1
Binding affinityPDBbind-CN: -logKd/Ki=5.74,Kd=1.8uM
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:4d1d, PDBe:4d1d, PDBj:4d1d
PDBsum4d1d
PubMed24952894
UniProtD6R8X8|HYUP_MICLQ Hydantoin permease (Gene Name=hyuP)

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