Structure of PDB 5rzd Chain A Binding Site BS01

Receptor Information
>5rzd Chain A (length=284) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PKSMQCKVILLDGSEYTCDVEKRSRGQVLFDKVCEHLNLLEKDYFGLTYR
DAENQKNWLDPAKEIKKQVRSGAWHFSFNVKFYPPDPAQLSEDITRYYLC
LQLRDDIVSGRLPCSFVTLALLGSYTVQSELGDYDPDECGSDYISEFRFA
PNHTKELEDKVIELHKSHRGMTPAEAEMHFLENAKKLSMYGVDLHHAKDS
EGVEIMLGVCASGLLIYRDRLRINRFAWPKVLKISYKRNNFYIKIRPGEF
EQFESTIGFKLPNHRAAKRLWKVCVEHHTFFRLL
Ligand information
Ligand IDO1M
InChIInChI=1S/C11H14FN3O/c12-9-1-3-10(4-2-9)14-5-7-15(8-6-14)11(13)16/h1-4H,5-8H2,(H2,13,16)
InChIKeyXARVCWHXIZRCGB-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01N2(C(N)=O)CCN(c1ccc(cc1)F)CC2
OpenEye OEToolkits 2.0.6c1cc(ccc1N2CCN(CC2)C(=O)N)F
CACTVS 3.385NC(=O)N1CCN(CC1)c2ccc(F)cc2
FormulaC11 H14 F N3 O
Name4-(4-fluorophenyl)piperazine-1-carboxamide
ChEMBL
DrugBank
ZINCZINC000000386756
PDB chain5rzd Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5rzd EPB41L3 PanDDA analysis group deposition
Resolution1.81 Å
Binding residue
(original residue number in PDB)		W334 V337 H384
Binding residue
(residue number reindexed from 1)		W228 V231 H278
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0008092 cytoskeletal protein binding
Cellular Component
GO:0005856 cytoskeleton

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Molecular Function
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Cellular Component
External links
PDB RCSB:5rzd, PDBe:5rzd, PDBj:5rzd
PDBsum5rzd
PubMed
UniProtQ9Y2J2|E41L3_HUMAN Band 4.1-like protein 3 (Gene Name=EPB41L3)

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