Structure of PDB 8hlk Chain A Binding Site BS01

Receptor Information
>8hlk Chain A (length=910) Species: 1126 (Microcystis aeruginosa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SIYPLSPMQEGMLFHSLYTPDSGIYCSQTLITLEGEINLTVFRQAWEKVV
ERHSVLRTLFLWIVRKKVDLPWDYQDWRNLLLQTERQQGFEFKVAPLMRC
LMIQLSDQTYKFLCNHHHIILDGWSMPIIYQEVLGFYEAGIQGKSHHLPS
PRPYQDYIVWLQEQNPSVAESYWQRTLEGFMTPTPLRVDRLQPTYKEYNC
HLSASLSKDLQSLAQKHNLTLSTLVQAAWAILLSRYSGESEVLFGVTVSG
RPHDLSGVERRVGLFINTLPLRVSIRESDLLLSWLQELQQKQAEIQDYAY
VSLAEIQRLSDIPPGVPLFESLVVFENYSLRVKDVENFEETNYPLTVVAI
PRQELLIQLIYDTSRFTQDTIERMAGHLQTILTGIVTDPRQRVTQLPILT
TQEQHQLLVEWNNTEADYPLDKSLHQLFEEQAAQNPQGIAVIFEDQKLTY
QQLNNRGNQLAHCLRDKGVGPESLVGIFMERSLEMVIGLLGILKAGGAYV
PLDPDYPTERLGDILSDSGVSLVLTQESLGDFLPQTGAESLCLDRDWEKI
ATYSPENHFNLTTPENLAYVIYTSGKPKGVLISHRGLMNLICWHQDAFEI
TPLDKITQLARIAFDAAVWELWPCLTAGASLVLVKPEIMQSPPDLRDWLI
AQEITVSFLPTPLVEKILSLEWDENIALRIILTGGDKLHHYPSGLMPFKL
INNYGPTENSVVTTSGLVRDYEEGNPPSPSIGKPVYNTKIYILDQNLQPL
PIGVPGELHISSVGLARGYLNRLELTQEKFISNPFNSGILYKTGDLVRYL
PEGNIEFLGRIDNQVKLRGLRIELGEIEAVLETHSEVEKAVVILREDTSD
NQRLVAYIVRKSPSLGIGELRRFLQQQLPAYMVPSAFVILSDFPLNNNGK
IDRKKLPVPD
Ligand information
Ligand IDLEU
InChIInChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m0/s1
InChIKeyROHFNLRQFUQHCH-YFKPBYRVSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(C)C[C@@H](C(=O)O)N
CACTVS 3.341CC(C)C[C@H](N)C(O)=O
OpenEye OEToolkits 1.5.0CC(C)CC(C(=O)O)N
ACDLabs 10.04O=C(O)C(N)CC(C)C
CACTVS 3.341CC(C)C[CH](N)C(O)=O
FormulaC6 H13 N O2
NameLEUCINE
ChEMBLCHEMBL291962
DrugBankDB00149
ZINCZINC000003645145
PDB chain8hlk Chain A Residue 1201 [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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PDB8hlk Structure of McyB-C1A1 complexed with L-Leu and AMP
Resolution2.7 Å
Binding residue
(original residue number in PDB)		F667 D668 G737 G738 N756 Y757 G758 V764 K953
Binding residue
(residue number reindexed from 1)		F614 D615 G684 G685 N703 Y704 G705 V711 K900
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003824 catalytic activity

View graph for
Molecular Function
External links
PDB RCSB:8hlk, PDBe:8hlk, PDBj:8hlk
PDBsum8hlk
PubMed38340732
UniProtO54504

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