Structure of PDB 5z54 Chain A Binding Site BS03

Receptor Information
>5z54 Chain A (length=199) Species: 230521 (Fischerella ambigua UTEX 1903) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SVVSIPINNAGFEDPFIEVVDDYTVDTPPGWTTYNPNNLVPEKRTTWTSN
NGVGYVGPGTQFYNQLAPEGRNIGYIYLAQKPGSGVAGFEQILDATLEPD
TKYTLKVDVGNFGGEFQKISLAGFPGYRVELLAGDTVLAADHNNLYIKDG
EFKTSTVTFTATPDNPYLDQKLGIRLINLLQGTFSGLDFDNVRLTVEPA
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 chain5z54 Chain A Residue 303 [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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PDB5z54 The Crystal Structure of a Class of Cyclases that Catalyze the Cope Rearrangement
Resolution2.16 Å
Binding residue
(original residue number in PDB)		Y49 N76 F88 Y101 Y103 F138 F210 D214
Binding residue
(residue number reindexed from 1)		Y23 N50 F62 Y75 Y77 F112 F184 D188
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links