Structure of PDB 5hcd Chain A Binding Site BS01

Receptor Information
>5hcd Chain A (length=981) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LQKKIEEIAAKYKHSVVKKCCYDGACVNNDETCEQRAARISLGPRCIKAF
TECCVVASQLRANISHKDMQLGRLHMKTLLPVSKPEIRSYFPESWLWEVH
LVPRRKQLQFALPDSLTTWEIQGVGISNTGICVADTVKAKVFKDVFLEMN
IPYSVVRGEQIQLKGTVYNYRTSGMQFCVKMSAVEGICTSESPVIKSSKC
VRQKVEGSSSHLVTFTVLPLEIGLHNINFSLETWFGKEILVKTLRVVPEG
VKRESYSGVTLDPRGIYGTISRRKEFPYRIPLDLVPKTEIKRILSVKGLL
VGEILSAVLSQEGINILTHLPKGSAEAELMSVVPVFYVFHYLETGNHWNI
FHSDPLIEKQKLKKKLKEGMLSIMSYRNADYSYSVWKGGSASTWLTAFAL
RVLGQVNKYVEQNQNSICNSLLWLVENYQLDNGSFKENSQYQPIKLQGTL
PVEARENSLYLTAFTVIGIRKAFDICPLVKIDTALIKADNFLLENTLPAQ
STFTLAISAYALSLGDKTHPQFRSIVSALKREALVKGNPPIYRFWKDNLQ
HKDSSVPNTGTARMVETTAYALLTSLNLKDINYVNPVIKWLSEEQRYGGG
FYSTQDTINAIEGLTEYSLLVKQLRLSMDIDVSYKHKGALHNYKMTDKNF
LGRPVEVLLNDDLIVSTGFGSGLATVHVTTVVHKTSTSEEVCSFYLKIDT
QDIEKRIVACASYKPSREESSSGSSHAVMDISLPTGISANEEDLKALVEG
VDQLFTDYQIKDGHVILQLNSIPSSDFLCVRFRIFELFEVGFLSPATFTV
YEYHRPDKQCTMFYSTSNIKIQKVCEGAACKCVEADCGQMQEELDLTISA
ETRKQTACKPEIAYAYKVSITSITVENVFVKYKATLLDIYKTGEAVAEKD
SEITFIKKVTCTNAELVKGRQYLIMGKEALQIKYNFSFRYIYPLDSLTWI
EYWPRDTTCSSCQAFLANLDEFAEDIFLNGC
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 chain5hcd Chain A Residue 2003 [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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PDB5hcd Structural basis for therapeutic inhibition of complement C5.
Resolution2.98 Å
Binding residue
(original residue number in PDB)		Y700 C704
Binding residue
(residue number reindexed from 1)		Y22 C26
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
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Biological Process
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Cellular Component
External links
PDB RCSB:5hcd, PDBe:5hcd, PDBj:5hcd
PDBsum5hcd
PubMed27018802
UniProtP01031|CO5_HUMAN Complement C5 (Gene Name=C5)

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