Structure of PDB 7cba Chain A Binding Site BS01

Receptor Information
>7cba Chain A (length=768) Species: 8656 (Naja atra) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QDICVLPTQSWSCNKLRCGEKRMANVLCSCSEDCLTKKDCCTDYKSICKR
ETSWLKDQCASSQCPEGFDQSPLILFSMDGFRAEYLETWDTLMPNINKLK
TCGTHAKYMRAVYPTKTFVNHYTIVTGLYAETHGIIDNNMYDVKLNQNFS
LSGSNMRNAAWWGGQPIWHTASYQGLKAATYFWPGSEVKINGSYPTIYKV
YNKSTPFEARVMEVLKWLDLPKAKRPDFSTLYIEEPDTTGHKFGPVSGQV
IKSLQMADRTLGMLMEGLKQRNLHNCVNLILLADHGMEAISCNRLEYMTD
YFNTVDFFMYEGAAPRIRSKNVPKDFYTFDSEAIVKKLTCRKPKQHFKAY
LAKDLPKRLHFANNIRIDKVNLMVDRQWLAVRNKKCSGGTHGYDNEFKSM
EAIFLAHGPGFKEKTEVTSFENIEVYNLMCDLLKLKPAPNNGTHGSLNHL
LKNPFYNPSPAKEQSPPLYCLFGPVPSPDVSGCKCSSITDLEAVNQRLNL
IDQAKMQSEADNLPYGRPHVLQHSKYCLLHQTKYISAYSQDILMPLWNSY
TISKSLDCLRLDVRIPTVQSQTCSNYQPDLAITPGFLYPPDFSSSGPEQY
DALITSNIVPMYKEFARLWNYFHSTLLPKYATERNGLNVISGPIFDYNYD
GHFDPYDTIDQYVNNTKIPIPTHYFVVLTSCENSTKTPLNCPPGSLKVLS
FILPHRPDNSESCADKSPDNLWVEERMQTHTARVRDVELLTGLDFYSALK
QPLSETLRLKTFLPIFIN
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain7cba Chain A Residue 905 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7cba Crystal structure of snake venom phosphodiesterase (PDE) from Taiwan cobra (Naja atra atra) in complex with isorhamnetin and citrate
Resolution2.901 Å
Binding residue
(original residue number in PDB)		D305 H309 H462
Binding residue
(residue number reindexed from 1)		D237 H241 H391
Annotation score1
Enzymatic activity
Enzyme Commision number 3.6.1.-
Gene Ontology
Molecular Function
GO:0003676 nucleic acid binding
GO:0016787 hydrolase activity
GO:0043262 ADP phosphatase activity
GO:0046872 metal ion binding
GO:0047429 nucleoside triphosphate diphosphatase activity
GO:0090729 toxin activity
Biological Process
GO:0009143 nucleoside triphosphate catabolic process
GO:0035821 modulation of process of another organism
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:7cba, PDBe:7cba, PDBj:7cba
PDBsum7cba
PubMed
UniProtA0A2D0TC04|PDE_NAJAT Venom phosphodiesterase

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