Structure of PDB 7cqw Chain B Binding Site BS01

Receptor Information
>7cqw Chain B (length=429) Species: 2203891 (Rhodovulum sp. 12E13) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TDLASIAREKGIEFFLISFTDLLGVQRAKLVPARAIADMAVNGAGFAGFA
AWLDMSPADADILAIPDPESLIQLPWKPSVGWLAADVHFEGRPFPKAPRV
ALKSVLARAAGKDMHLKHGVECEFFLIQPDGSAISDPADTQAKPCYDQDA
LMRRFDVIAEICSYMVDLGWGPYQNDHEDANGQFEMNWDYADALVTADRH
AFFKFMVKSVAERHGLRATFMPKPFAHLTGNGCHTHLSMWTAAGDNLFEG
DGELGLSPTAYAFLGGLIGHAKGLTAVVNPTVNSYKRLNAPVTVSGATWS
PNTITYGGNNRTHMVRIPDAGRLELRLPDGAANPYLMPAAILAAGLDGIE
TQADPGQRLDIDMYVEGHSVEAEQLPLNLLDAVRALEADEVLAGGLGAAA
AAFAKFKRAEWADYKSQLTEWERRTTLDC
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 chain7cqw Chain B Residue 500 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB7cqw Crystal structures of gamma-glutamylmethylamide synthetase provide insight into bacterial metabolism of oceanic monomethylamine.
Resolution2.297 Å
Binding residue
(original residue number in PDB)		Y174 Y191 H237 L238 S239 R317 R323
Binding residue
(residue number reindexed from 1)		Y173 Y190 H236 L237 S238 R316 R322
Annotation score5
Enzymatic activity
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:0046872 metal ion binding
Biological Process
GO:0006542 glutamine biosynthetic process
GO:0009399 nitrogen fixation

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Molecular Function
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Biological Process
External links
PDB RCSB:7cqw, PDBe:7cqw, PDBj:7cqw
PDBsum7cqw
PubMed33199371
UniProtA0A369R1N0

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