Structure of PDB 6wi2 Chain B Binding Site BS02

Receptor Information
>6wi2 Chain B (length=83) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ASSRAQVLALYRAMLRESKRFSAYNYRTYAVRRIRDAFRENKNVKDPVEI
QTLVNKAKRDLGVIRRQVHIGQLYSTDKLIIEN
Ligand information
Ligand ID8Q1
InChIInChI=1S/C23H45N2O8PS/c1-4-5-6-7-8-9-10-11-12-13-20(27)35-17-16-24-19(26)14-15-25-22(29)21(28)23(2,3)18-33-34(30,31)32/h21,28H,4-18H2,1-3H3,(H,24,26)(H,25,29)(H2,30,31,32)/t21-/m0/s1
InChIKeyMVHUOSAYFQKAMT-NRFANRHFSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(O)=O
OpenEye OEToolkits 2.0.6CCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)O)O
CACTVS 3.385CCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)CO[P](O)(O)=O
ACDLabs 12.01O=C(CCCCCCCCCCC)SCCNC(CCNC(C(C(COP(=O)(O)O)(C)C)O)=O)=O
OpenEye OEToolkits 2.0.6CCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)O)O
FormulaC23 H45 N2 O8 P S
NameS-[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] dodecanethioate;
S-dodecanoyl-4'-phosphopantetheine
ChEMBL
DrugBank
ZINCZINC000535385355
PDB chain6wi2 Chain C Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6wi2 The essential function of ISCU2 and its conserved N-terminus in Fe/S cluster biogenesis
Resolution1.95 Å
Binding residue
(original residue number in PDB)		R6 V9 F40 N43 K44 V46 I52 L55
Binding residue
(residue number reindexed from 1)		R4 V7 F38 N41 K42 V44 I50 L53
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0042803 protein homodimerization activity
Biological Process
GO:0016226 iron-sulfur cluster assembly
GO:0044571 [2Fe-2S] cluster assembly
GO:0044572 [4Fe-4S] cluster assembly
Cellular Component
GO:0005634 nucleus
GO:0005739 mitochondrion
GO:0005759 mitochondrial matrix
GO:0016604 nuclear body
GO:0099128 mitochondrial [2Fe-2S] assembly complex
GO:1990221 L-cysteine desulfurase complex
GO:1990229 iron-sulfur cluster assembly complex

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:6wi2, PDBe:6wi2, PDBj:6wi2
PDBsum6wi2
PubMed
UniProtQ9HD34|LYRM4_HUMAN LYR motif-containing protein 4 (Gene Name=LYRM4)

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