Structure of PDB 8wwv Chain F Binding Site BS02

Receptor Information
>8wwv Chain F (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 IDP3S
InChIInChI=1S/C5H13N2O6PS/c1-15(13,7-14(10,11)12)3-2-4(6)5(8)9/h4H,2-3,6H2,1H3,(H,8,9)(H2,10,11,12)/t4-,15-/m0/s1
InChIKeyQQFOFBSCSWFFPB-NMAPHRJESA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=P(N=S(=O)(CCC(N)C(=O)O)C)(O)O
CACTVS 3.341C[S](=O)(CC[C@H](N)C(O)=O)=N[P](O)(O)=O
CACTVS 3.341C[S](=O)(CC[CH](N)C(O)=O)=N[P](O)(O)=O
OpenEye OEToolkits 1.5.0CS(=NP(=O)(O)O)(=O)CCC(C(=O)O)N
OpenEye OEToolkits 1.5.0C[S@](=NP(=O)(O)O)(=O)CC[C@@H](C(=O)O)N
FormulaC5 H13 N2 O6 P S
NameL-METHIONINE-S-SULFOXIMINE PHOSPHATE
ChEMBL
DrugBank
ZINCZINC000014653634
PDB chain8wwv Chain F Residue 502 [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)		E162 E164 E234 A287 G289 H291 R345 L351 K363
Binding residue
(residue number reindexed from 1)		E157 E159 E229 A282 G284 H286 R340 L346 K358
Annotation score2
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

View graph for
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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