Structure of PDB 5ltm Chain B Binding Site BS01

Receptor Information
>5ltm Chain B (length=537) Species: 1163 (Anabaena) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NVIIGNQKLTINDVARVARNGTLVSLTNNTDILQGIQASCDYINNAVESG
EPIFGVTSGFGGMANVAISREQASELQTNLVWFLKTGAGNKLPLADVRAA
MLLRANSHMRGASGIRLELIKRMEIFLNAGVTPYVYEFGSIGADLVPLSY
ITGSLIGLDPSFKVDFNGKEMDAPTALRQLNLSPLTLLPKEGLAMMNGTS
VMTGIAANCVYDTQILTAIAMGVHALDIQALNGTNQSFHPFIHNSKPHPG
QLWAADQMISLLANSQLVRDELDGKHDYRDHELIQDRYSLRCLPQYLGPI
VDGISQIAKQIEIEINSVTDNPLIDVDNQASYHGGNFLGQYVGMGMDHLR
YYIGLLAKHLDVQIALLASPEFSNGLPPSLLGNRERKVNMGLKGLQICGN
SIMPLLTFYGNSIADRFPTHAEQFNQNINSQGYTSATLARRSVDIFQNYV
AIALMFGVQAVDLRTYKKTGHYDARASLSPATERLYSAVRHVVGQKPTSD
RPYIWNDNEQGLDEHIARISADIAAGGVIVQAVQDIL
Ligand information
Ligand IDHCI
InChIInChI=1S/C9H10O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11)
InChIKeyXMIIGOLPHOKFCH-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=C(O)CCc1ccccc1
OpenEye OEToolkits 1.7.6c1ccc(cc1)CCC(=O)O
CACTVS 3.370OC(=O)CCc1ccccc1
FormulaC9 H10 O2
NameHYDROCINNAMIC ACID;
3PP;
3-PHENYLPROPIONIC ACID
ChEMBLCHEMBL851
DrugBankDB02024
ZINCZINC000000154564
PDB chain5ltm 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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PDB5ltm Zymophore identification enables the discovery of novel phenylalanine ammonia lyase enzymes.
Resolution2.413 Å
Binding residue
(original residue number in PDB)		Y314 R317
Binding residue
(residue number reindexed from 1)		Y288 R291
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) F78 G85 L108 N223 Y314 R317 F363 Q452
Catalytic site (residue number reindexed from 1) F54 G61 L84 N197 Y288 R291 F337 Q426
Enzyme Commision number 4.3.1.24: phenylalanine ammonia-lyase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0004397 histidine ammonia-lyase activity
GO:0016829 lyase activity
GO:0016841 ammonia-lyase activity
GO:0045548 phenylalanine ammonia-lyase activity
Biological Process
GO:0006559 L-phenylalanine catabolic process
GO:0009072 aromatic amino acid metabolic process
GO:0009698 phenylpropanoid metabolic process
GO:0009699 phenylpropanoid biosynthetic process
GO:0009800 cinnamic acid biosynthetic process
GO:0044550 secondary metabolite biosynthetic process
GO:0051289 protein homotetramerization
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5ltm, PDBe:5ltm, PDBj:5ltm
PDBsum5ltm
PubMed29057979
UniProtQ3M5Z3|PAL_TRIV2 Phenylalanine ammonia-lyase (Gene Name=Ava_3988)

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