Structure of PDB 3aj4 Chain A Binding Site BS01

Receptor Information
>3aj4 Chain A (length=112) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GSMAFVKSGWLLRQSTILKRWKKNWFDLWSDGHLIYYDDQTRQNIEDKVH
MPMDCINIRTGQECRDTQPPDGKSKDCMLQIVCRDGKTISLCAESTDDCL
AWKFTLQDSRTN
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 chain3aj4 Chain A Residue 111 [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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PDB3aj4 Intracellular phosphatidylserine is essential for retrograde membrane traffic through endosomes
Resolution1.0 Å
Binding residue
(original residue number in PDB)		R11 S13 T14 I15 L16 R18 K20 E44
Binding residue
(residue number reindexed from 1)		R13 S15 T16 I17 L18 R20 K22 E46
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology

View graph for
Cellular Component
External links
PDB RCSB:3aj4, PDBe:3aj4, PDBj:3aj4
PDBsum3aj4
PubMed21911378
UniProtQ96CS7|PKHB2_HUMAN Pleckstrin homology domain-containing family B member 2 (Gene Name=PLEKHB2)

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