Structure of PDB 1elv Chain A Binding Site BS02

Receptor Information
>1elv Chain A (length=303) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LDCGIPESIENGKVEDPESTLFGSVIRYTCEEPYYYMEGGGEYHCAGNGS
WVNEVLGPELPKCVPVCGVPREPFIIGGSDADIKNFPWQVFFDNPWAGGA
LINEYWVLTAAHVVEGNREPTMYVGSTSVQKMLTPEHVFIHPGWKLLAVP
EGRTNFDNDIALVRLKDPVKMGPTVSPICLPGTSSDYNLMDGDLGLISGW
GRTEKRDRAVRLKAARLPVAPLRKCKEVAYVFTPNMICAGGEKGMDSCKG
DSGGAFAVQDPNDKTKFYAAGLVSWGPQCGTYGLYTRVKNYVDWIMKTMQ
ENS
Ligand information
Ligand IDNES
InChIInChI=1S/C6H15NO6S/c8-3-6(4-9,5-10)7-1-2-14(11,12)13/h7-10H,1-5H2,(H,11,12,13)
InChIKeyJOCBASBOOFNAJA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=S(=O)(O)CCNC(CO)(CO)CO
OpenEye OEToolkits 1.5.0C(CS(=O)(=O)O)NC(CO)(CO)CO
CACTVS 3.341OCC(CO)(CO)NCC[S](O)(=O)=O
FormulaC6 H15 N O6 S
Name2-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-ETHANESULFONIC ACID
ChEMBL
DrugBankDB02371
ZINCZINC000001530141
PDB chain1elv Chain A Residue 2003 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1elv Crystal structure of the catalytic domain of human complement c1s: a serine protease with a handle.
Resolution1.7 Å
Binding residue
(original residue number in PDB)		N513 N600 N655 Y656 D658 W659
Binding residue
(residue number reindexed from 1)		N158 N235 N290 Y291 D293 W294
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) G382 G383 H460 D514 K614 G615 D616 S617 G618
Catalytic site (residue number reindexed from 1) G39 G40 H112 D159 K249 G250 D251 S252 G253
Enzyme Commision number 3.4.21.42: complement subcomponent C1s.
Gene Ontology
Molecular Function
GO:0004252 serine-type endopeptidase activity
Biological Process
GO:0006508 proteolysis

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Molecular Function
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Biological Process
External links
PDB RCSB:1elv, PDBe:1elv, PDBj:1elv
PDBsum1elv
PubMed10775260
UniProtP09871|C1S_HUMAN Complement C1s subcomponent (Gene Name=C1S)

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