Structure of PDB 6tnh Chain B Binding Site BS03

Receptor Information
>6tnh Chain B (length=344) Species: 1076759 (Vibrio phage phiVC8) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HMENVDLVIDLQFGSTGKGLIAGYLAEKNGYDTVINANMPNAGHTYINAE
GRKWMHKVLPNGIVSPNLKRVMLGAGSVFSINRLMEEIEMSKDLLHDKVA
ILIHPMATVLDEEAHKKAEVGIATSIGSTGQGSMAAMVEKLQRDPTNNTI
VARDVAQYDGRIAQYVCTVEEWDMALMASERILAEGAQGFSLSLNQEFYP
YCTSRDCTPARFLADMGIPLPMLNKVIGTARCHPIRVGGTSGGHYPDQEE
LTWEQLGQVPELTTVTKKVRRVFSFSFIQMQKAMWTCQPDEVFLNFCNYL
SPMGWQDIVHQIEVAAQSRYCDAEVKYLGFGPTFNDVELREDVM
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain6tnh Chain B Residue 404 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6tnh A third purine biosynthetic pathway encoded by aminoadenine-based viral DNA genomes.
Resolution2.21 Å
Binding residue
(original residue number in PDB)		S14 T263 R269
Binding residue
(residue number reindexed from 1)		S15 T264 R270
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) S14 K17 G42 H43 Q187
Catalytic site (residue number reindexed from 1) S15 K18 G43 H44 Q188
Enzyme Commision number 6.3.4.25: 2-amino-2'-deoxyadenylo-succinate synthase.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0000287 magnesium ion binding
GO:0004019 adenylosuccinate synthase activity
GO:0005524 ATP binding
GO:0016874 ligase activity
GO:0046872 metal ion binding
Biological Process
GO:0006164 purine nucleotide biosynthetic process
GO:0044208 'de novo' AMP biosynthetic process
GO:0046040 IMP metabolic process
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6tnh, PDBe:6tnh, PDBj:6tnh
PDBsum6tnh
PubMed33926955
UniProtG3FFN6|PURZ_BPVC8 N6-succino-2-amino-2'-deoxyadenylate synthase (Gene Name=purZ)

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