Structure of PDB 9eq5 Chain A Binding Site BS02

Receptor Information
>9eq5 Chain A (length=511) Species: 119 (Rubinisphaera brasiliensis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NPVLSGAPLSINVVADIGRQRLIPSLTDDEQVLNRVHACRDVVQKAVRNN
ERIYGITTGFGGMSDIPIPPQHVAQTQDNLLAFLSTSTGASLDPRHVRAA
MALRANVLLQGRSGVRLELIERLVEFLRQDAIPVVCDLGSIGDLVPLGVI
ARSIIGHPSTTQVKYQGEQADSHDVLQQLNYSALQLEAKEGLALVNGTSF
SSAIAANCVFESQRLLSLSLVLQSIMVRALGGHPEAFHPFVDENKPHPGQ
GWSAQMMRDLLAQDRYSLRCLAQYFAPIVEGIAQISQSISTEMNAVSDNP
LIDVDTGRFHQSGNFLGQYVAMSMDQLRRHLGLLAKHLDVQIAQLVAPAF
NNGLPASLRGNSSRPFNMGLKGLQITGNSIMPLLTYLGNPLTEHFPTHAE
EFNQNINGLSWGSANLAWRSVQLFQHYLSVASIFAVQAIDLRAGLEGREL
LGETATELYETVYDLLERPFLFNDDEQSLEVDLQMLNGDLAGAGRMHEAV
SSVTDSFLAEF
Ligand information
Ligand IDPPH
InChIInChI=1S/C8H12NO3P/c9-8(13(10,11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,9H2,(H2,10,11,12)/t8-/m1/s1
InChIKeyFQCNOURLMNHAQN-MRVPVSSYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0c1ccc(cc1)CC(N)P(=O)(O)O
OpenEye OEToolkits 1.7.0c1ccc(cc1)C[C@H](N)P(=O)(O)O
CACTVS 3.370N[CH](Cc1ccccc1)[P](O)(O)=O
CACTVS 3.370N[C@@H](Cc1ccccc1)[P](O)(O)=O
ACDLabs 12.01O=P(O)(O)C(N)Cc1ccccc1
FormulaC8 H12 N O3 P
Name[(1R)-1-amino-2-phenylethyl]phosphonic acid
ChEMBLCHEMBL40813
DrugBank
ZINCZINC000003953934
PDB chain9eq5 Chain D Residue 601 [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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PDB9eq5 Engineered Phenylalanine Ammonia-Lyases for the Enantioselective Synthesis of Aspartic Acid Derivatives.
Resolution2.17 Å
Binding residue
(original residue number in PDB)		Y292 R295
Binding residue
(residue number reindexed from 1)		Y266 R269
Annotation score1
External links