Structure of PDB 8ho4 Chain A Binding Site BS01

Receptor Information
>8ho4 Chain A (length=1076) Species: 36329 (Plasmodium falciparum 3D7) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MEWIHEKSPKHNSYDIIEKRYNEEFKMTYTVYQHKKAKTQVISLGTNDPL
DVEQAFAFYVKTLTHSGKGIPHILEHSVLSGSKNYNYKNSIGLLEKGTLH
THLNAYTFNDRTVYMAGSMNNKDFFNIMGVYMDSVFQPNVLENKYIFETE
GWTYEVEKLKEDEKGKAEIPQMKDYKVSFNGIVYNEMKGALSSPLEDLYH
EEMKYMFPDNVHSNNSGGDPKEITNLTYEEFKEFYYKNYNPKKVKVFFFS
KNNPTELLNFVDQYLGQLDYSKYRDDAVESVEYQTYKKGPFYIKKKYGDH
SEEKENLVSVAWLLNPKVSDLSLENPTDYFVLLIINNLLIHTPESVLYKA
LTDCGLGNNVIDRGLNDSLVQYIFSIGLKGIKRNNEKIKNFDKVHYEVED
VIMNALKKVVKEGFNKSAVEASINNIEFILKEANLKTSKSIDFVFEMTSK
LNYNRDPLLIFEFEKYLNIVKNKIKNEPMYLEKFVEKHFINNAHRSVILL
EGDENYAQEQENLEKQELKKRIENFNEQEKEQVIKNFEELSKYKNAEESP
EHLNKFPIISISDLNKKTLEVPVNVYFTNINENNNIMETYNKLKTNEHML
KDNMDVFLKKYVLKTKYEGNVPILVYEMPTTGIVYLQFVFSLDHLTVDEL
AYLNLFKTLILENKTNKRSSEDFVILREKNIGSMSANVALYSKDDHLNVT
DKYNAQALFNLEMHVLSHKCNDALNIALEAVKESDFSNKKKVIDILKRKI
NGMKTTFSEKGYAILMKYVKAHLNSKHYAHNIIYGYENYLKLQEQLELAE
NDFKTLENILVRIRNKIFNKKNLMVSVTSDYGALKHLFVNSNESLKNLVS
YFEENDKYIVMGWNEEIKSKKLFDEEKVKKEFFVLPTFVNSVSMSGILFK
PGEYLDPSFTVIVAALKNSYLWDTVRGLNGAYGVFADIEYDGSVVFLSAR
DPNLEKTLATFRESAKGLRKMADTMTENDLLRYIINTIGTIDKPRRGIEL
SKLSFLRLISNESEQDRVEFRKRIMNTKKEDFYKFADLLESKVNEFEKNI
VIITTKEKANEYIANVDGEFKKVLIE
Ligand information
Ligand IDXUH
InChIInChI=1S/C20H24N2O/c23-16(13-21-15-7-1-2-8-15)14-22-19-11-5-3-9-17(19)18-10-4-6-12-20(18)22/h3-6,9-12,15-16,21,23H,1-2,7-8,13-14H2/t16-/m1/s1
InChIKeyUIWHEXAVANZGHK-MRXNPFEDSA-N
SMILES
SoftwareSMILES
CACTVS 3.385O[C@H](CNC1CCCC1)Cn2c3ccccc3c4ccccc24
ACDLabs 12.01OC(CNC1CCCC1)Cn1c2ccccc2c2ccccc21
OpenEye OEToolkits 2.0.7c1ccc2c(c1)c3ccccc3n2C[C@@H](CNC4CCCC4)O
OpenEye OEToolkits 2.0.7c1ccc2c(c1)c3ccccc3n2CC(CNC4CCCC4)O
CACTVS 3.385O[CH](CNC1CCCC1)Cn2c3ccccc3c4ccccc24
FormulaC20 H24 N2 O
Name(2R)-1-(9H-carbazol-9-yl)-3-(cyclopentylamino)propan-2-ol
ChEMBL
DrugBank
ZINCZINC000004189340
PDB chain8ho4 Chain A Residue 1201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB8ho4 Falcilysin in complex with MMV000848
Resolution1.96 Å
Binding residue
(original residue number in PDB)		L417 D451 I513 L514 E530
Binding residue
(residue number reindexed from 1)		L333 D367 I429 L430 E446
Annotation score1
Enzymatic activity
Enzyme Commision number 3.4.24.-
Gene Ontology
Molecular Function
GO:0004222 metalloendopeptidase activity
GO:0008237 metallopeptidase activity
GO:0046872 metal ion binding
Biological Process
GO:0006508 proteolysis
GO:0016485 protein processing
GO:0042540 hemoglobin catabolic process
Cellular Component
GO:0005773 vacuole
GO:0005774 vacuolar membrane
GO:0016020 membrane
GO:0020011 apicoplast
GO:0020020 food vacuole
GO:0031982 vesicle

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:8ho4, PDBe:8ho4, PDBj:8ho4
PDBsum8ho4
PubMed38593807
UniProtQ76NL8|FCLN_PLAF7 Falcilysin (Gene Name=FLN)

[Back to BioLiP]