Structure of PDB 7ddz Chain A Binding Site BS01

Receptor Information
>7ddz Chain A (length=437) Species: 882,9606 [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EVQVVLILAYCSIILLGVIGNSLVIHVVIKFKSMRTVTNFFIANLAVADL
LVNTLCLPFTLTYTLMGEWKMGPVLCHLVPYAQGLAVQVSTITLTVIALD
RYRCIVYHLESKISKRISFLIIGLAWGISALLASPLAIFREYSLIEIIPD
FEIVACTEKWPGEEKSIYGTVYSLSSLLILYVLPLGIISFSYTRIWSKLK
NHVAKALIVYGSTTGNTEYTAETIARELADAGYEVDSRDAASVEAGGLFE
GFDLVLLGCSTWGDDSIELQDDFIPLFDSLEETGAQGRKVACFGCGDSSW
EYFCGAVDAIEEKLKNLGAEIVQDGLRIDGDPRAARDDIVGWAHDVRGAI
DHYHQRRQKTTKMLVCVVVVFAVCWLPLHAFQLAVDIDSQVLDLKEYKLI
FTVFHIIAMCSTFANPLLYGWMNSNYRKAFLSAFRCE
Ligand information
Ligand IDH46
InChIInChI=1S/C34H36FN5O2/c1-3-38(4-2)34(42)32(25-11-6-5-7-12-25)40-21-19-39(20-22-40)31-17-16-27(23-30(31)35)37-33(41)29-15-9-8-14-28(29)26-13-10-18-36-24-26/h5-18,23-24,32H,3-4,19-22H2,1-2H3,(H,37,41)/t32-/m0/s1
InChIKeyOVUNRYUVDVWTTE-YTTGMZPUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCN(CC)C(=O)[C@H](c1ccccc1)N2CCN(CC2)c3ccc(cc3F)NC(=O)c4ccccc4c5cccnc5
OpenEye OEToolkits 2.0.7CCN(CC)C(=O)C(c1ccccc1)N2CCN(CC2)c3ccc(cc3F)NC(=O)c4ccccc4c5cccnc5
CACTVS 3.385CCN(CC)C(=O)[CH](N1CCN(CC1)c2ccc(NC(=O)c3ccccc3c4cccnc4)cc2F)c5ccccc5
CACTVS 3.385CCN(CC)C(=O)[C@@H](N1CCN(CC1)c2ccc(NC(=O)c3ccccc3c4cccnc4)cc2F)c5ccccc5
FormulaC34 H36 F N5 O2
Name~{N}-[4-[4-[(1~{S})-2-(diethylamino)-2-oxidanylidene-1-phenyl-ethyl]piperazin-1-yl]-3-fluoranyl-phenyl]-2-pyridin-3-yl-benzamide
ChEMBLCHEMBL1823578
DrugBank
ZINCZINC000043207267
PDB chain7ddz Chain A Residue 1201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7ddz Structural basis for ligand recognition of the neuropeptide Y Y 2 receptor.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		T107 W116 P127 V134 L183 R187 S220 S223 L224 L227 H285 Q288 H311
Binding residue
(residue number reindexed from 1)		T60 W69 P80 V87 L136 R140 S173 S176 L177 L180 H379 Q382 H405
Annotation score1
Enzymatic activity
Enzyme Commision number 3.2.1.17: lysozyme.
Gene Ontology
Molecular Function
GO:0003796 lysozyme activity
GO:0004930 G protein-coupled receptor activity
GO:0009055 electron transfer activity
GO:0010181 FMN binding
Biological Process
GO:0007186 G protein-coupled receptor signaling pathway
GO:0009253 peptidoglycan catabolic process
GO:0016998 cell wall macromolecule catabolic process
Cellular Component
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:7ddz, PDBe:7ddz, PDBj:7ddz
PDBsum7ddz
PubMed33531491
UniProtP00323|FLAV_NITV2 Flavodoxin (Gene Name=DVU_2680);
P49146|NPY2R_HUMAN Neuropeptide Y receptor type 2 (Gene Name=NPY2R)

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