Structure of PDB 7ad6 Chain A Binding Site BS01

Receptor Information
>7ad6 Chain A (length=971) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EEIAAKYKHSVVKKCCYDGACVNNDETCEQRAARISLGPRCIKAFTECCV
VASQLRANISHKDMQLGRLHMKTLLPVSKPEIRSYFPESWLWEVHLVPRR
KQLQFALPDSLTTWEIQGVGISNTGICVADTVKAKVFKDVFLEMNIPYSV
VRGEQIQLKGTVYNYRTSGMQFCVKMSAVEGICTSESPSSKCVRQKVEGS
SSHLVTFTVLPLEIGLHNINFSLETWFGKEILVKTLRVVPEGVKRESYSG
VTLDPRGIYGTISRRKEFPYRIPLDLVPKTEIKRILSVKGLLVGEILSAV
LSQEGINILTHLPKGSAEAELMSVVPVFYVFHYLETGNHWNIFHSDPLIE
KQKLKKKLKEGMLSIMSYRNADYSYSVWKGGSASTWLTAFALRVLGQVNK
YVEQNQNSICNSLLWLVENYQLDNGSFKENSQYQPIKLQGTLPVEARENS
LYLTAFTVIGIRKAFDICPLVKIDTALIKADNFLLENTLPAQSTFTLAIS
AYALSLGDKTHPQFRSIVSALKREALVKGNPPIYRFWKDNLQHKDSSVPN
TGTARMVETTAYALLTSLNLKDINYVNPVIKWLSEEQRYGGGFYSTQDTI
NAIEGLTEYSLLVKQLRLSMDIDVSYKHKGALHNYKMTDKNFLGRPVEVL
LNDDLIVSTGFGSGLATVHVTTVVHKTSTSEEVCSFYLKIDTQDIEADYK
RIVACASYKPSREESSSGSSHAVMDISLPTGISANEEDLKALVEGVDQLF
TDYQIKDGHVILQLNSIPSSDFLCVRFRIFELFEVGFLSPATFTVYEYHR
PDKQCTMFYSTSNIKIQKVCEGAACKCVEADCGQMQEELDLTISAETRKQ
TACKPEIAYAYKVSITSITVENVFVKYKATLLDIYKTGEAVAEKDSEITF
IKKVTCTNAELVKGRQYLIMGKEALQIFRYIYPLDSLTWIEYWPRDTTCS
SCQAFLANLDEFAEDIFLNGC
Ligand information
Ligand IDCYS
InChIInChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1
InChIKeyXUJNEKJLAYXESH-REOHCLBHSA-N
SMILES
SoftwareSMILES
CACTVS 3.341N[CH](CS)C(O)=O
OpenEye OEToolkits 1.5.0C([C@@H](C(=O)O)N)S
CACTVS 3.341N[C@@H](CS)C(O)=O
ACDLabs 10.04O=C(O)C(N)CS
OpenEye OEToolkits 1.5.0C(C(C(=O)O)N)S
FormulaC3 H7 N O2 S
NameCYSTEINE
ChEMBLCHEMBL863
DrugBankDB00151
ZINCZINC000000895042
PDB chain7ad6 Chain A Residue 1703 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB7ad6 The allosteric modulation of Complement C5 by knob domain peptides.
Resolution2.75 Å
Binding residue
(original residue number in PDB)		Y700 C704
Binding residue
(residue number reindexed from 1)		Y17 C21
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004866 endopeptidase inhibitor activity
Biological Process
GO:0006954 inflammatory response
GO:0006956 complement activation
Cellular Component
GO:0005576 extracellular region
GO:0005615 extracellular space

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Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7ad6, PDBe:7ad6, PDBj:7ad6
PDBsum7ad6
PubMed33570492
UniProtP01031|CO5_HUMAN Complement C5 (Gene Name=C5)

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