Structure of PDB 5yvk Chain A Binding Site BS01

Receptor Information
>5yvk Chain A (length=198) Species: 230521 (Fischerella ambigua UTEX 1903) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AVSIPINNAGFENPFMDVVDDYTIDTPPGWTTYDPNNLVPEKRTTWTSNN
GVGYVGPGTQFYNQLAPEGRNIGYIYLSQNPGSGVAGFEQILDATLEPDT
KYTLTVDVGNLAGTFKGLSFAGFPGYRVELLAGDTVLAADHNNLFIKEGE
FKTSTVTYTSTAKDLHLGQKLGIRLVNLLQDKFSGLDFDNVRLTTEPT
Ligand information
Ligand ID0HZ
InChIInChI=1S/C11H19N5O2/c12-11(13)14-5-1-3-7-10(18)16-6-2-4-8(16)9(17)15-7/h7-8H,1-6H2,(H,15,17)(H4,12,13,14)/p+1/t7-,8+/m0/s1
InChIKeyZRJHYOXNWCMGMW-JGVFFNPUSA-O
SMILES
SoftwareSMILES
ACDLabs 10.04O=C1N2C(C(=O)NC1CCCNC(=[NH2+])/N)CCC2
CACTVS 3.341NC(=[NH2+])NCCC[C@@H]1NC(=O)[C@H]2CCCN2C1=O
CACTVS 3.341NC(=[NH2+])NCCC[CH]1NC(=O)[CH]2CCCN2C1=O
FormulaC11 H20 N5 O2
Nameamino({3-[(3S,8aS)-1,4-dioxooctahydropyrrolo[1,2-a]pyrazin-3-yl]propyl}amino)methaniminium;
CI-4;
[cyclo-(l-Arg-d-Pro)]
ChEMBL
DrugBank
ZINC
PDB chain5yvk Chain A Residue 301 [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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PDB5yvk The Crystal Structure of a Class of Cyclases that Catalyze the Cope Rearrangement
Resolution1.292 Å
Binding residue
(original residue number in PDB)		Y49 T72 W73 N76 Y101 Y103 D214
Binding residue
(residue number reindexed from 1)		Y22 T45 W46 N49 Y74 Y76 D187
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:5yvk, PDBe:5yvk, PDBj:5yvk
PDBsum5yvk
PubMed30222239
UniProtV5TER4

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