Structure of PDB 6dlw Chain I Binding Site BS01

Receptor Information
>6dlw Chain I (length=460) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SHIDCRMSPWSEWSQCDPCLRQMFRSRSIEVFGQFNGKRCTDAVGDRRQC
VPTEPCEDAEDDCGNDFQCSTGRCIKMRLRCNGDNDCGDFSDEDDCESEP
RPPCRDRVVEESELARTAGYGINILGMDPLSTPFDNEFYNGLCNRDRDGN
TLTYYRRPWNVASLIYETKGEKNFRTEHYEEQIEAFKSIIQEKTSNFNAA
FRFSYSKNETYQLFLSYSSKKEKMFLHVKGEIHLGRFVMRNRDVVLTTTF
VDDIKALPTTYEKGEYFAFLETYGTHYSSSGSLGGLYELIYVLDKASMKR
KGVELKDIKRCLGYHLFNKDDCVKRGEGRAVNITSENLIDDVVSLIRGGT
RKYAFELKEKLLRGTVIDVTDFVNWASSINDAPVLISQKLSPIYNLVPVK
MKNAHLKKQNLERAIEDYINEFSVRKCHTCQNGGTVILMDGKCLCACPFK
FEGIACEISK
Ligand information
Ligand IDBMA
InChIInChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5+,6-/m1/s1
InChIKeyWQZGKKKJIJFFOK-RWOPYEJCSA-N
SMILES
SoftwareSMILES
CACTVS 3.341OC[C@H]1O[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]1O
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(O1)O)O)O)O)O
CACTVS 3.341OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O
ACDLabs 10.04OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namebeta-D-mannopyranose;
beta-D-mannose;
D-mannose;
mannose
ChEMBL
DrugBank
ZINCZINC000003830679
PDB chain6dlw Chain I Residue 602 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6dlw The first transmembrane region of complement component-9 acts as a brake on its self-assembly.
Resolution3.9 Å
Binding residue
(original residue number in PDB)		W27 R42
Binding residue
(residue number reindexed from 1)		W10 R25
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005515 protein binding
Biological Process
GO:0001906 cell killing
GO:0006955 immune response
GO:0006956 complement activation
GO:0006957 complement activation, alternative pathway
GO:0006958 complement activation, classical pathway
GO:0031640 killing of cells of another organism
GO:0050778 positive regulation of immune response
GO:0051260 protein homooligomerization
Cellular Component
GO:0005576 extracellular region
GO:0005579 membrane attack complex
GO:0005615 extracellular space
GO:0005886 plasma membrane
GO:0016020 membrane
GO:0044218 other organism cell membrane
GO:0070062 extracellular exosome
GO:0072562 blood microparticle

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:6dlw, PDBe:6dlw, PDBj:6dlw
PDBsum6dlw
PubMed30111885
UniProtP02748|CO9_HUMAN Complement component C9 (Gene Name=C9)

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