Structure of PDB 2j2p Chain C Binding Site BS01
Receptor Information
>2j2p Chain C (length=212) Species:
9606
(Homo sapiens) [
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PRTCKDLLDRGHFLSGWHTIYLPDCRPLTVLCDMDTDGGGWTVFQRRVDG
SVDFYRDWATYKQGFGSRLGEFWLGNDNIHALTAQGTSELRTDLVDFEDN
YQFAKYRSFKVADEAEKYNLVLGAFVEGSAGDSLTFHNNQSFSTKDQDND
LNTGNCAVMFQGAWWYKNCHTSNLNGRYLRGTHGSFANGINWKSGKGYNY
SYKVSEMKVRPA
Ligand information
Ligand ID
SC2
InChI
InChI=1S/C5H9NO3S/c1-3(7)6-4(2-10)5(8)9/h4,10H,2H2,1H3,(H,6,7)(H,8,9)/t4-/m0/s1
InChIKey
PWKSKIMOESPYIA-BYPYZUCNSA-N
SMILES
Software
SMILES
OpenEye OEToolkits 1.7.0
CC(=O)NC(CS)C(=O)O
ACDLabs 12.01
O=C(NC(C(=O)O)CS)C
OpenEye OEToolkits 1.7.0
CC(=O)N[C@@H](CS)C(=O)O
CACTVS 3.370
CC(=O)N[C@@H](CS)C(O)=O
CACTVS 3.370
CC(=O)N[CH](CS)C(O)=O
Formula
C5 H9 N O3 S
Name
N-ACETYL-L-CYSTEINE;
(2R)-2-acetamido-3-sulfanyl-propanoic acid
ChEMBL
CHEMBL600
DrugBank
DB06151
ZINC
ZINC000003589203
PDB chain
2j2p Chain C Residue 1289 [
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Receptor-Ligand Complex Structure
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PDB
2j2p
Structural Insights Into the Innate Immune Recognition Specificities of L- and H-Ficolins.
Resolution
2.8 Å
Binding residue
(original residue number in PDB)
S127 S143 L145 G146
Binding residue
(residue number reindexed from 1)
S51 S67 L69 G70
Annotation score
1
Enzymatic activity
Enzyme Commision number
?
External links
PDB
RCSB:2j2p
,
PDBe:2j2p
,
PDBj:2j2p
PDBsum
2j2p
PubMed
17215869
UniProt
Q15485
|FCN2_HUMAN Ficolin-2 (Gene Name=FCN2)
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