Structure of PDB 6s6s Chain A Binding Site BS01

Receptor Information
>6s6s Chain A (length=1468) Species: 192 (Azospirillum brasilense) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
CGVGFIAAIDGKPRRSVVEKGIEALKAVWHRGAVDADGKTGDGAGIHVAV
PQKFFKDHVKVIGHRAPDNKLAVGQVFLPRISLDAQEACRCIVETEILAF
GYYIYGWRQVPINVDIIGEKANATRPEIEQIIVGNNKGVSDEQFELDLYI
IRRRIEKAVKGEQINDFYICSLSARSIIYKGMFLAEQLTTFYPDLLDERF
ESDFAIYHQRYSTNTFPTWPLAQPFRMLAHNGEINTVKGNVNWMKAHETR
MEHPAFGTHMQDLKPVIGVGLSDSGSLDTVFEVMVRAGRTAPMVKMMLVP
QALTSSQTTPDNHKALIQYCNSVMEPWDGPAALAMTDGRWVVGGMDRNGL
RPMRYTITTDGLIIGGSETGMVKIDETQVIEKGRLGPGEMIAVDLQSGKL
YRDRELKDHLATLKPWDKWVQNTTHLDELVKTASLKDMDKAELRRRQQAF
GLTMEDMELILHPMVEDGKEAIGSMGDDSPIAVLSDKYRGLHHFFRQNFS
QVTNPPIDSLRERRVMSLKTRLGNLGNILDEDETQTRLLQLESPVLTTAE
FRAMRDYMGDTAAEIDATFPVDGGPEALRDALRRIRQETEDAVRGGATHV
ILTDEAMGPARAAIPAILATGAVHTHLIRSNLRTFTSLNVRTAEGLDTHY
FAVLIGVGATTVNAYLAQEAIAERHRRGLFGSMPLEKGMANYKKAIDDGL
LKIMSKMGISVISSYRGGGNFEAIGLSRALVAEHFPAMVSRISGIGLNGI
QKKVLEQHATAYNEEVVALPVGGFYRFRKSGDRHGWEGGVIHTLQQAVTN
DSYTTFKKYSEQVNKRPPMQLRDLLELRSTKAPVPVDEVESITAIRKRFI
TPGMSMGALSPEAHGTLNVAMNRIGAKSDSGEGGEDPARFRPDKNGDNWN
SAIKQVASGRFGVTAEYLNQCRELEIKVAQGAKPGEGGQLPGFKVTEMIA
RLRHSTPGVMLISPPPHHDIYSIEDLAQLIYDLKQINPDAKVTVKLVSRS
GIGTIAAGVAKANADIILISGNSGGTGASPQTSIKFAGLPWEMGLSEVHQ
VLTLNRLRHRVRLRTDGGLKTGRDIVIAAMLGAEEFGIGTASLIAMGCIM
VRQCHSNTCPVGVCVQDDKLRQKFVGTPEKVVNLFTFLAEEVREILAGLG
FRSLNEVIGRTDLLHQVSRGAEHLDDLDLNPRLAQVDPGENARYCTLQGR
NEVPDTLDARIVADARPLFEEGEKMQLAYNARNTQRAIGTRLSSMVTRKF
GMFGLQPGHITIRLRGTAGQSLGAFAVQGIKLEVMGDANDYVGKGLSGGT
IVVRPTTSSPLETNKNTIIGNTVLYGATAGKLFAAGQAGERFAVRNSGAT
VVVEGCGSNGCEYMTGGTAVILGRVGDNFAAGMTGGMAYVYDLDDSLPLY
INDESVIFQRIEVGHYESQLKHLIEEHVTETQSRFAAEILNDWAREVTKF
WQVVPKEMLNRLEVPVHL
Ligand information
Ligand IDFMN
InChIInChI=1S/C17H21N4O9P/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(25)20-17(26)19-15)5-11(22)14(24)12(23)6-30-31(27,28)29/h3-4,11-12,14,22-24H,5-6H2,1-2H3,(H,20,25,26)(H2,27,28,29)/t11-,12+,14-/m0/s1
InChIKeyFVTCRASFADXXNN-SCRDCRAPSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(COP(=O)(O)O)O)O)O
OpenEye OEToolkits 1.7.6Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O
ACDLabs 12.01N=2C(=O)NC(=O)C3=Nc1cc(C)c(C)cc1N(C=23)CC(O)C(O)C(O)COP(=O)(O)O
CACTVS 3.385Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O)c2cc1C
CACTVS 3.385Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[C@H](O)[C@H](O)[C@H](O)CO[P](O)(O)=O)c2cc1C
FormulaC17 H21 N4 O9 P
NameFLAVIN MONONUCLEOTIDE;
RIBOFLAVIN MONOPHOSPHATE
ChEMBLCHEMBL1201794
DrugBankDB03247
ZINCZINC000003831425
PDB chain6s6s Chain A Residue 1501 [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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PDB6s6s Cryo-EM Structures of Azospirillum brasilense Glutamate Synthase in Its Oligomeric Assemblies.
Resolution3.9 Å
Binding residue
(original residue number in PDB)		P856 G857 M858 S859 E886 Q909 K931 Q934 G1029 T1030 D1070 G1071 G1072 G1093 T1094
Binding residue
(residue number reindexed from 1)		P852 G853 M854 S855 E882 Q905 K927 Q930 G1025 T1026 D1066 G1067 G1068 G1089 T1090
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) C1 R31 Y211 N231 G232 M479 E886 Q934 K937 Q943
Catalytic site (residue number reindexed from 1) C1 R31 Y211 N231 G232 M475 E882 Q930 K933 Q939
Enzyme Commision number 1.4.1.13: glutamate synthase (NADPH).
Gene Ontology
Molecular Function
GO:0004355 glutamate synthase (NADPH) activity
GO:0015930 glutamate synthase activity
GO:0016491 oxidoreductase activity
GO:0016638 oxidoreductase activity, acting on the CH-NH2 group of donors
GO:0046872 metal ion binding
GO:0051538 3 iron, 4 sulfur cluster binding
Biological Process
GO:0006537 glutamate biosynthetic process
GO:0006541 glutamine metabolic process
GO:0019676 ammonia assimilation cycle
GO:0097054 L-glutamate biosynthetic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:6s6s, PDBe:6s6s, PDBj:6s6s
PDBsum6s6s
PubMed31473159
UniProtQ05755|GLTB_AZOBR Glutamate synthase [NADPH] large chain (Gene Name=gltB)

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