Structure of PDB 9eq5 Chain B Binding Site BS01

Receptor Information
>9eq5 Chain B (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 B 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)
Y64 G71 F93 D156 L157 N209 N325 F341
Binding residue
(residue number reindexed from 1)
Y54 G61 F83 D143 L144 N196 N299 F315
Annotation score1
External links