Structure of PDB 2d4q Chain B Binding Site BS03

Receptor Information
>2d4q Chain B (length=255) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KEEFKALKTLSIFYQAGTSKAGNPIFYYVARRFKTGQINGDLLIYHVLLT
LKPYYAKPYEIVVDLTHTGPSNRFKTDFLSKWFVVFPGFAYDNVSAVYIY
NCNSWVREYTKYHERLLTGLSKRLVFIDCPGKLAEHIEHEQQKLPAATLA
LEEDLKVFHNALKLAHKDTKVSIKVGSTAVQVTSAERTKVLGQSVFLNDI
YYASEIEEICLVDENQFTLTIANQGTPLTFMHQECEAIVQSIIHIRTRWE
LSQPD
Ligand information
Ligand IDPOP
InChIInChI=1S/H4O7P2/c1-8(2,3)7-9(4,5)6/h(H2,1,2,3)(H2,4,5,6)/p-2
InChIKeyXPPKVPWEQAFLFU-UHFFFAOYSA-L
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0O[P@@](=O)([O-])O[P@@](=O)(O)[O-]
CACTVS 3.341O[P]([O-])(=O)O[P](O)([O-])=O
ACDLabs 10.04[O-]P(=O)(O)OP([O-])(=O)O
OpenEye OEToolkits 1.5.0OP(=O)([O-])OP(=O)(O)[O-]
FormulaH2 O7 P2
NamePYROPHOSPHATE 2-
ChEMBL
DrugBank
ZINC
PDB chain2d4q Chain B Residue 602 [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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PDB2d4q A novel bipartite phospholipid-binding module in the neurofibromatosis type 1 protein
Resolution2.3 Å
Binding residue
(original residue number in PDB)		R1632 K1634 T1635 Y1671 H1672
Binding residue
(residue number reindexed from 1)		R73 K75 T76 Y112 H113
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:2d4q, PDBe:2d4q, PDBj:2d4q
PDBsum2d4q
PubMed16397625
UniProtP21359|NF1_HUMAN Neurofibromin (Gene Name=NF1)

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