Structure of PDB 2qjo Chain C Binding Site BS03

Receptor Information
>2qjo Chain C (length=327) Species: 1148 (Synechocystis sp. PCC 6803) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KYQYGIYIGRFQPFHLGHLRTLNLALEKAEQVIIILGSHRVAADTRNPWR
SPERMAMIEACLSPQILKRVHFLTVRDWLYSDNLWLAAVQQQVLKITGGS
NSVVVLGHRKDASSYYLNLFPQWDYLETGHYPDFSSTAIRGAYFEGKEGD
YLDKVPPAIADYLQTFQKSERYIALCDEYQFLQAYKQAWATAPYAPTFIT
TDAVVVQAGHVLMVRRQAKPGLGLIALPGGFIKQNETLVEGMLRELKEET
RLKVPLPVLRGSIVDSHVFDAPGRSLRGRTITHAYFIQLPGGELPAVKAW
WMSLADLYAQEEQIYEDHFQIIQHFVS
Ligand information
Ligand IDPOP
InChIInChI=1S/H4O7P2/c1-8(2,3)7-9(4,5)6/h(H2,1,2,3)(H2,4,5,6)/p-2
InChIKeyXPPKVPWEQAFLFU-UHFFFAOYSA-L
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0O[P@@](=O)([O-])O[P@@](=O)(O)[O-]
CACTVS 3.341O[P]([O-])(=O)O[P](O)([O-])=O
ACDLabs 10.04[O-]P(=O)(O)OP([O-])(=O)O
OpenEye OEToolkits 1.5.0OP(=O)([O-])OP(=O)(O)[O-]
FormulaH2 O7 P2
NamePYROPHOSPHATE 2-
ChEMBL
DrugBank
ZINC
PDB chain2qjo Chain C Residue 703 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2qjo Bifunctional NMN Adenylyltransferase/ADP-Ribose Pyrophosphatase: Structure and Function in Bacterial NAD Metabolism.
Resolution2.6 Å
Binding residue
(original residue number in PDB)		R13 K113 S138 S139 T140 R143
Binding residue
(residue number reindexed from 1)		R10 K110 S135 S136 T137 R140
Annotation score5
Enzymatic activity
Enzyme Commision number 2.7.7.1: nicotinamide-nucleotide adenylyltransferase.
3.6.1.-
Gene Ontology
Molecular Function
GO:0000309 nicotinamide-nucleotide adenylyltransferase activity
GO:0003824 catalytic activity
GO:0005524 ATP binding
GO:0016779 nucleotidyltransferase activity
GO:0016787 hydrolase activity
GO:0042802 identical protein binding
Biological Process
GO:0009058 biosynthetic process
GO:0009435 NAD biosynthetic process
GO:0019363 pyridine nucleotide biosynthetic 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:2qjo, PDBe:2qjo, PDBj:2qjo
PDBsum2qjo
PubMed18275811
UniProtQ55928|NADM_SYNY3 Bifunctional NMN adenylyltransferase/Nudix hydrolase (Gene Name=slr0787)

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