Structure of PDB 6e4l Chain A Binding Site BS01

Receptor Information
>6e4l Chain A (length=358) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FMAQILPIRFQEHLQLQNLGINPANIGFSTLTMESDKFICIREKVGEQAQ
VVIIDMNDPSNPIRRPISADSAIMNPASKVIALKAGKTLQIFNIEMKSKM
KAHTMTDDVTFWKWISLNTVALVTDNAVYHWSMEGESQPVKMFDRHSSLA
GCQIINYRTDAKQKWLLLTGISAQQNRVVGAMQLYSVDRKVSQPIEGHAA
SFAQFKMEGNAEESTLFCFAVRGQAGGKLHIIEVGTPPTGNQPFPKKAVD
VFFPPEAQNDFPVAMQISEKHDVVFLITKYGYIHLYDLETGTCIYMNRIS
GETIFVTAPHEATAGIIGVNRKGQVLSVCVEEENIIPYITNVLQNPDLAL
RMAVRNNL
Ligand information
Ligand IDHRS
InChIInChI=1S/C10H7BrN2O4S2/c11-9-5-6-10(18-9)19(16,17)12-7-1-3-8(4-2-7)13(14)15/h1-6,12H
InChIKeyXAKPASIXPSBWRB-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01c1(sc(cc1)Br)S(Nc2ccc(cc2)N(=O)=O)(=O)=O
OpenEye OEToolkits 2.0.6c1cc(ccc1NS(=O)(=O)c2ccc(s2)Br)N(=O)=O
CACTVS 3.385Brc1sc(cc1)[S](=O)(=O)Nc2ccc(cc2)[N](=O)=O
FormulaC10 H7 Br N2 O4 S2
Name5-bromo-N-(4-nitrophenyl)thiophene-2-sulfonamide
ChEMBLCHEMBL4445540
DrugBank
ZINCZINC000004732703
PDB chain6e4l Chain A Residue 409 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6e4l Disruption of endocytosis through chemical inhibition of clathrin heavy chain function.
Resolution1.6 Å
Binding residue
(original residue number in PDB)		I66 S67 L82 Q89 F91
Binding residue
(residue number reindexed from 1)		I67 S68 L83 Q90 F92
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005198 structural molecule activity
Biological Process
GO:0006886 intracellular protein transport
GO:0016192 vesicle-mediated transport
Cellular Component
GO:0030130 clathrin coat of trans-Golgi network vesicle
GO:0030132 clathrin coat of coated pit

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6e4l, PDBe:6e4l, PDBj:6e4l
PDBsum6e4l
PubMed31011214
UniProtQ00610|CLH1_HUMAN Clathrin heavy chain 1 (Gene Name=CLTC)

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