Structure of PDB 4bed Chain D Binding Site BS02

Receptor Information
>4bed Chain D (length=1734) Species: 55429 (Megathura crenulata) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VMIRKDITQLDKRQQLSLVKALESMKADHSSDGFQAIASFHALPPLCPSP
AASKRFACCVHGMATFPQWHRLYTVQFQDSLRKHGAVVGLPYWDWTLPRS
ELPELLTVSTIHDPETGRDIPNPFIGSKIEFEGENVHTKRDINRDRLFQG
STKTHHNWFIEQALLALEQTNYCDFEVQFEIMHNGVHTWVGGKEPYGIGH
LHYASYDPLFYIHHSQTDRIWAIWQSLQRFRGLSGSEANCAVNLMKTPLK
PFSFGAPYNLNDHTHDFSKPEDTFDYQKFGYIYDTLEFAGWSIRGIDHIV
RNRQEHSRVFAGFLLEGFGTSATVDFQVCRTAGDCEDAGYFTVLGGEKEM
PWAFDRLYKYDITETLDKMNLRHDEIFQIEVTITSYDGTVLDSGLIPTPS
IIYDPAHHDISSHHLSLNKVRHDLSTLSERDIGSLKYALSSLQADTSADG
FAAIASFHGLPAKCNDSHNNEVACCIHGMPTFPHWHRLYTLQFEQALRRH
GSSVAVPYWDWTKPIHNIPHLFTDKEYYDVWRNKVMPNPFARGYVPSHDT
YTVRDVQEGLFHLTSTGEHSALLNQALLALEQHDYCDFAVQFEVMHNTIH
YLVGGPQVYSLSSLHYASYDPIFFIHHSFVDKVWAVWQALQEKRGLPSDR
ADCAVSLMTQNMRPFHYEINHNQFTKKHAVPNDVFKYELLGYRYDNLEIG
GMNLHEIEKEIKDKQHHVRVFAGFLLHGIRTSADVQFQICKTSEDCHHGG
QIFVLGGTKEMAWAYNRLFKYDITHALHDAHITPEDVFHPSEPFFIKVSV
TAVNGTVLPASILHAPTIIYEPGLDHHEDHHSSSMAGHGVRKEINTLTTA
EVDNLKDAMRAVMADHGPNGYQAIAAFHGNPPMCPMPDGKNYSCCTHGMA
TFPHWHRLYTKQMEDALTAHGARVGLPYWDGTTAFTALPTFVTDEEDNPF
HHGHIDYLGVDTTRSPRDKLFNDPERGSESFFYRQVLLALEQTDFCQFEV
QFEITHNAIHSWTGGLTPYGMSTLEYTTYDPLFWLHHANTDRIWAIWQAL
QEYRGLPYDHANCEIQAMKRPLRPFSDPINHNAFTHSNAKPTDVFEYSRF
NFQYDNLRFHGMTIKKLEHELEKQKEEDRTFAAFLLHGIKKSADVSFDVC
NHDGECHFAGTFAILGGEHEMPWSFDRLFRYDITQVLKQMHLEYDSDFTF
HMRIIDTSGKQLPSDLIKMPTVEHSPGGKHHEKHHEDHHEDILVRKNIHS
LSHHEAEELRDALYKLQNDESHGGYEHIAGFHGYPNLCPEKGDEKYPCCV
HGMSIFPHWHRLHTIQFERALKKHGSHLGIPYWDWTQTISSLPTFFADSG
NNNPFFKYHIRSINQDTVRDVNEAIFQQTKFGEFSSIFYLALQALEEDNY
CDFEVQYEILHNEVHALIGGAEKYSMSTLEYSAFDPYFMIHHASLDKIWI
IWQELQKRRVKPAHAGSCAGDIMHVPLHPFNYESVNNDDFTRENSLPNAV
VDSHRFNYKYDNLNLHGHNIEELEEVLRSLRLKSRVFAGFVLSGIRTTAV
VKVYIKSGTDSDDEYAGSFVILGGAKEMPWAYERLYRFDITETVHNLNLT
DDHVKFRFDLKKYDHTELDASVLPAPIIVRRPNNAVFDIIEIPIGKDVNL
PPKVVVKRGTKIMFMSVDEAVTTPMLNLGSYTAMFKCKVPPFSFHAFELG
KMYSVESGDYFMTASTTELCNDNNLRIHVHVDDE
Ligand information
Ligand IDCUO
InChIInChI=1S/2Cu.2O
InChIKeyPCGDDKBKPXANNY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341
OpenEye OEToolkits 1.5.0		O1[Cu]O[Cu]1
FormulaCu2 O2
NameCU2-O2 CLUSTER;
CU-O2-CU LINKAGE
ChEMBL
DrugBank
ZINC
PDB chain4bed Chain D Residue 9006 [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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PDB4bed Keyhole Limpet Hemocyanin: 9-A Cryoem Structure and Molecular Model of the Klh1 Didecamer Reveal the Interfaces and Intricate Topology of the 160 Functional Units.
Resolution9.0 Å
Binding residue
(original residue number in PDB)		H2122 H2141 H2150 H2260 H2264 H2291
Binding residue
(residue number reindexed from 1)		H458 H477 H486 H596 H600 H627
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) H2122 H2141 H2150 H2670 H2674 L2688 H2701
Catalytic site (residue number reindexed from 1) H458 H477 H486 H1006 H1010 L1024 H1037
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0016491 oxidoreductase activity

View graph for
Molecular Function
External links
PDB RCSB:4bed, PDBe:4bed, PDBj:4bed
PDBsum4bed
PubMed19013468
UniProtQ10583|HCY1_MEGCR Hemocyanin 1 (Gene Name=KLH1)

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