Structure of PDB 5dm3 Chain C Binding Site BS01

Receptor Information
>5dm3 Chain C (length=396) Species: 290398 (Chromohalobacter israelensis DSM 3043) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ALDDLKTRVESGEIDTVLVCIVDMQGRLMGKRLHARHFVDHGWEETHCCN
YLLYIMKPDLATLRCVPWLEGTAMVLCDLLDHRTHAEVPHAPRAILKRQL
ARLEAMGLEAIMATELEFFLFEKSLDEIRKGRFRTTKEEHVLRPLRNHLH
AAGIPVEGTKGEAGAGQEELNIRCAKALDTADYHTIAKHATKEIAWQQGR
AVTFLSKWHHAHAGSSSHIHQSLWKQGLPAFHDERDALGMSALMKHYLAG
LLKYAPDYTYFLAPYLNSYKRFQFAPTRTVWSVDNRTAGFRLCAEGTRAV
RIECRIGGSDLNPYLAMAGQLAAGIKGIEECLALPPPASGLIPQNLRDAM
EALRGSTMLREAMGEDVVDHYVRAAEVELEDFQRVVSDYEVARGFE
Ligand information
Ligand IDADP
InChIInChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyXTWYTFMLZFPYCI-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N
FormulaC10 H15 N5 O10 P2
NameADENOSINE-5'-DIPHOSPHATE
ChEMBLCHEMBL14830
DrugBankDB16833
ZINCZINC000012360703
PDB chain5dm3 Chain C Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5dm3 Crystal Structure of Glutamine Synthetase from Chromohalobacter salexigens DSM 3043(Csal_0679, TARGET EFI-550015) with bound ADP
Resolution2.6 Å
Binding residue
(original residue number in PDB)		R217 C218 H264 S266 R348
Binding residue
(residue number reindexed from 1)		R173 C174 H220 S222 R301
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) E143 E145 E206 E213 H262 R333 E350 R352
Catalytic site (residue number reindexed from 1) E115 E117 E162 E169 H218 R286 E303 R305
Enzyme Commision number 6.3.1.2: glutamine synthetase.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0003824 catalytic activity
GO:0004356 glutamine synthetase activity
GO:0016874 ligase activity
GO:0016879 ligase activity, forming carbon-nitrogen bonds
Biological Process
GO:0006542 glutamine biosynthetic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:5dm3, PDBe:5dm3, PDBj:5dm3
PDBsum5dm3
PubMed
UniProtQ1QZR8

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