Structure of PDB 8wwv Chain C Binding Site BS01

Receptor Information
>8wwv Chain C (length=490) Species: 1615674 (Pseudomonas lactis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DFITKNNLWTNEQRDAADKVLAEIDSLGLEMIRLSWADQYGLLRGKSLTV
ASLKSAFKEGSEVAIGPFFFDLVSSMVFNLFTTAGDFEDELSGNPTVVMV
PDPTTFKVLPWADKTGWMLADLHWKSGEPFPLCPRGIMKKAVKSLSDEGY
LFKCGIELEWYLTKIVDRSLSPESLGAPGVQPDAIQVQPVAQGYSVLLEH
HLDQVDDIMSKVRKGLLELNLPLRSIEDEWAPSQMETTFDVMEGLEAADA
ALLIKSAIKQICSRHGYHATFMCKPAINGFFASGWHMHQSLVDKDTRKNL
FIPSEGEVLSPLGRAYAGGLLANGSAASSFTTPTVNGYRRRQPYSLAPDR
RAWAKDNKAAMVRVVSATGDPASRIENRIGEPGANPYLYMASQIVSGLDG
IKNKKDPGELQESPYDAQVPMLPTTLAEALDALEHDSELFRSCFGDTFIK
YWLQLRRSEWARFLDAEGAEAAEPTGAVTQWEQKEYFNLL
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 chain8wwv 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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PDB8wwv Discovery of the 1-naphthylamine biodegradation pathway reveals a glutamine synthetase-like protein that catalyzes 1-naphthylamine glutamylation
Resolution2.3 Å
Binding residue
(original residue number in PDB)		G160 E162 R229 F244 D245 V246 H293 S295 K363 R368 R379
Binding residue
(residue number reindexed from 1)		G155 E157 R224 F239 D240 V241 H288 S290 K358 R363 R374
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:0016879 ligase activity, forming carbon-nitrogen bonds
GO:0046872 metal ion binding
Biological Process
GO:0006542 glutamine biosynthetic process
Cellular Component
GO:0005737 cytoplasm
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8wwv, PDBe:8wwv, PDBj:8wwv
PDBsum8wwv
PubMed
UniProtA0A7Y1Q2L1

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