Structure of PDB 2jg8 Chain D Binding Site BS01

Receptor Information
>2jg8 Chain D (length=133) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QPRPAFSAIRRNPPMGGNVVIFDTVITNQEEPYQNHSGRFVCTVPGYYYF
TFQVLSQWEICLSIVSSSRGQVRRSLGFCDTTNKGLFQVVSGGMVLQLQQ
GDQVWVEKDPKKGHIYQGSEADSVFSGFLIFPS
Ligand information
Ligand IDSEP
InChIInChI=1S/C3H8NO6P/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)/t2-/m0/s1
InChIKeyBZQFBWGGLXLEPQ-REOHCLBHSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=P(O)(O)OCC(C(=O)O)N
OpenEye OEToolkits 1.5.0C(C(C(=O)O)N)OP(=O)(O)O
CACTVS 3.341N[CH](CO[P](O)(O)=O)C(O)=O
CACTVS 3.341N[C@@H](CO[P](O)(O)=O)C(O)=O
OpenEye OEToolkits 1.5.0C([C@@H](C(=O)O)N)OP(=O)(O)O
FormulaC3 H8 N O6 P
NamePHOSPHOSERINE;
PHOSPHONOSERINE
ChEMBLCHEMBL284377
DrugBankDB04522
ZINCZINC000003869280
PDB chain2jg8 Chain D Residue 1223 [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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PDB2jg8 C1Q Binds Phosphatidylserine and Likely Acts as a Multiligand-Bridging Molecule in Apoptotic Cell Recognition.
Resolution2.05 Å
Binding residue
(original residue number in PDB)		Q160 R162
Binding residue
(residue number reindexed from 1)		Q71 R73
Annotation score4
Binding affinityMOAD: Kd=37nM
PDBbind-CN: -logKd/Ki=6.30,Kd=0.5uM
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:2jg8, PDBe:2jg8, PDBj:2jg8
PDBsum2jg8
PubMed18250442
UniProtP02745|C1QA_HUMAN Complement C1q subcomponent subunit A (Gene Name=C1QA)

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