Structure of PDB 5h7w Chain B Binding Site BS03

Receptor Information
>5h7w Chain B (length=529) Species: 8656 (Naja atra) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GSFELTILHTNDVHARLEQTSRDSGKCTGEDCYGGVARRATKIRQIRASH
RNVLLLDAGDQYQGTIWFNYYKGREVVHFMNSLRYDAMALGNHEFDNGLN
GLLDPLLKNVKFPILSANIRPKGPIASNISGYILPYKIINVGSEKVGIIG
YTTKETPVLSNPGPYLEFRDEVEELQKHADKLTTLGVNKIIALGHSGFME
DCRIAQKVKGVDVVVGGHTNTFLYTGSPPSNEVAAGNYPFMQLSDDGRQV
PVVQAYAFGKYLGYLNVTFDDKGKVIKASGNPILLNKSIQEDPAVKAEIS
RMKVQLQNYSSQEIGRTIVYLNGTTHACRFHECNLGNLICDAVVYNNLRH
PDDNEWNHVSMCIVNGGGIRSPIDEQANNGIITLEELTAVLPFGGTFDLL
QIKGSTLRQAFEHSVHRHGQGTGELLQVSGIKVVYDLSQKPGKRVVSLNV
LCTECRVPTYVPLEMEKTYKVLLPSFLAAGGDGYYMLKGDSSNHSSGDLD
ISIVGDYIKRMGKVFPAMEGRMVFSAGSL
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain5h7w Chain B Residue 606 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5h7w Crystal strucuture of Taiwan cobra (Naja atra) venom 5'-nucleotidase at 1.9 Angstroms resolution.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		N213 D237 G298
Binding residue
(residue number reindexed from 1)		N188 D212 G273
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D37 H39 D85 H220 H243 N245
Catalytic site (residue number reindexed from 1) D12 H14 D60 H195 H218 N220
Enzyme Commision number 3.1.3.5: 5'-nucleotidase.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0016787 hydrolase activity
GO:0016788 hydrolase activity, acting on ester bonds
GO:0046872 metal ion binding
Biological Process
GO:0009166 nucleotide catabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:5h7w, PDBe:5h7w, PDBj:5h7w
PDBsum5h7w
PubMed
UniProtA0A2I4HXH5|V5NTD_NAJAT Snake venom 5'-nucleotidase (Fragment)

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