Structure of PDB 6ofb Chain A Binding Site BS04

Receptor Information
>6ofb Chain A (length=696) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RKVTVATCALNQWALDFEGNLQRILKSIEIAKNRGARYRLGPELEICGYG
CWDHYYESDTLLHSFQVLAALLESPVTQDIICDVGMPVMHRNVRYNCRVI
FLNRKILLIRPKMALANEGNYRELRWFTPWSRSRHTEEYFLPRMIQDLTK
QETVPFGDAVLVTWDTCIGSEICEELWTPHSPHIDMGLDGVEIITNASGS
HHVLRKANTRVDLVTMVTSKNGGIYLLANQKGCDGDRLYYDGCAMIAMNG
SVFAQGSQFSLDDVEVLTATLDLEDVRSYRAEISSRNLAASRASPYPRVK
VDFALSCHEDLLAPISEPIEWKYHSPEEEISLGPACWLWDFLRRSQQAGF
LLPLSGGVDSAATACLIYSMCCQVCEAVRSGNEEVLADVRTIVNQISYTP
QDPRDLCGRILTTCYMASKNSSQETCTRARELAQQIGSHHISLNIDPAVK
AVMGIFSLVTGKSPLFAAHGGSSRENLALQNVQARIRMVLAYLFAQLSLW
SRGVHGGLLVLGSANVDESLLGYLTKYDCSSADINPIGGISKTDLRAFVQ
FCIQRFQLPALQSILLAPATAELEPLADGQVSQTDEEDMGMTYAELSVYG
KLRKVAKMGPYSMFCKLLGMWRHICTPRQVADKVKRFFSKYSMNRHKMTT
LTPAYHAENYSPEDNRFDLRPFLYNTSWPWQFRCIENQVLQLERAE
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 chain6ofb Chain A Residue 904 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6ofb Different ways to transport ammonia in human and Mycobacterium tuberculosis NAD+synthetases.
Resolution2.84 Å
Binding residue
(original residue number in PDB)		V360 D361
Binding residue
(residue number reindexed from 1)		V358 D359
Annotation score1
Enzymatic activity
Enzyme Commision number 6.3.5.1: NAD(+) synthase (glutamine-hydrolyzing).
Gene Ontology
Molecular Function
GO:0003952 NAD+ synthase (glutamine-hydrolyzing) activity
GO:0004359 glutaminase activity
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0016874 ligase activity
Biological Process
GO:0009435 NAD biosynthetic process
GO:0034627 'de novo' NAD biosynthetic process
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6ofb, PDBe:6ofb, PDBj:6ofb
PDBsum6ofb
PubMed31911602
UniProtQ6IA69|NADE_HUMAN Glutamine-dependent NAD(+) synthetase (Gene Name=NADSYN1)

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