Structure of PDB 3hhs Chain A Binding Site BS01

Receptor Information
>3hhs Chain A (length=669) Species: 7130 (Manduca sexta) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DIFDSFELLYDRPGEPMINTKGEDKVLFELTEQFLTPEYANNGLELNNRF
GDEEEVSRKIILKNLDKIPEFPKAKQLPNDADFSLFLPSHQEMANEVIDV
LMSVTENQLQELLSTCVYARINLNPQLFNYCYTVAIMHRRDTGKVRVQNY
AEIFPAKFLDSQVFTQAREAAAVIPKTIPRTPIIIPRDYTATDLEEEHRL
AYWREDLGINLHHWHWHLVYPFSASDEKIVAKDRRGELFFYMHQQIIARY
NCERLCNSLKRVKKFSDWREPIPEAYYPKLDSLTSARGWPPRQAGMRWQD
LKRPVDGLNVTIDDMERYRRNIEEAIATGNVILPDKSTKKLDIDMLGNMM
EASVLSPNRDLYGSIHNNMHSFSAYMHDPEHRYLESFGVIADEATTMRDP
FFYRVHAWVDDIFQSFKEAPHNVRPYSRSQLENPGVQVTSVAVESAGGQQ
NVLNTFWMQSDVNLSKGLDFSDRGPVYARFTHLNHRPFRYVIKANNTASA
RRTTVRIFIAPKTDERNLPWALSDQRKMFIEMDRFVVPLSAGENTITRQS
TESSLTIPFEQTFRDYCGCGWPQHMLVPKGTVGGVAYQLFVMLSNYELDK
IEQPSCVEASMFCGLKDKKYPDARPMGYPFDRPSNSATNIEDFSAMSNMG
LQDIVIKLSDVTEPNPRNP
Ligand information
Ligand IDCU
InChIInChI=1S/Cu/q+2
InChIKeyJPVYNHNXODAKFH-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Cu+2]
CACTVS 3.341[Cu++]
FormulaCu
NameCOPPER (II) ION
ChEMBL
DrugBankDB14552
ZINC
PDB chain3hhs Chain A Residue 696 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3hhs Crystal structure of Manduca sexta prophenoloxidase provides insights into the mechanism of type 3 copper enzymes.
Resolution1.97 Å
Binding residue
(original residue number in PDB)		H215 H219 H245
Binding residue
(residue number reindexed from 1)		H213 H217 H243
Annotation score1
Enzymatic activity
Enzyme Commision number 1.14.18.1: tyrosinase.
Gene Ontology
Molecular Function
GO:0004497 monooxygenase activity
GO:0004503 tyrosinase activity
GO:0005507 copper ion binding
GO:0016491 oxidoreductase activity
GO:0031404 chloride ion binding
GO:0046872 metal ion binding
Biological Process
GO:0006582 melanin metabolic process
GO:0006583 melanin biosynthetic process from tyrosine
GO:0006952 defense response
GO:0035008 positive regulation of melanization defense response
GO:0042438 melanin biosynthetic process
Cellular Component
GO:0005576 extracellular region

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3hhs, PDBe:3hhs, PDBj:3hhs
PDBsum3hhs
PubMed19805072
UniProtQ25519|PRP2_MANSE Phenoloxidase subunit 2 (Gene Name=ppo)

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