Structure of PDB 1ofe Chain B Binding Site BS01

Receptor Information
>1ofe Chain B (length=1485) Species: 1148 (Synechocystis sp. PCC 6803) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
CGVGFIANLRGKPDHTLVEQALKALGCMEHRGGCSADNDSGDGAGVMTAI
PRELLAQWFNTRNLPMPDGDRLGVGMVFLPQEPSAREVARAYVEEVVRLE
KLTVLGWREVPVNSDVLGIQAKNNQPHIEQILVTCPEGCAGDELDRRLYI
ARSIIGKKLAEDFYVCSFSCRTIVYKGMVRSIILGEFYLDLKNPGYTSNF
AVYHRRFSTNTMPKWPLAQPMRLLGHNGEINTLLGNINWMAAREKELEVS
GWTKAELEALTPIVNQANSDSYNLDSALELLVRTGRSPLEAAMILVPEAY
KNQPALKDYPEISDFHDYYSGLQEPWDGPALLVFSDGKIVGAGLDRNGLR
PARYCITKDDYIVLGSEAGVVDLPEVDIVEKGRLAPGQMIAVDLAEQKIL
KNYQIKQQAAQKYPYGEWIKIQRQTVASDSFAEKTLFNDAQTVLQQQAAF
GYTAEDVEMVVVPMASQGKEPTFCMGDDTPLAVLSHKPRLLYDYFKQRFA
QVTNPPIDPLRENLVMSLAMFLGKRGNLLEPKAESARTIKLRSPLVNEVE
LQAIKTGQLQVAEVSTLYDNSLEDALTNLVKTAIATVQAGAEILVLTDRP
NGAILTENQSFIPPLLAVGAVHHHLIRAGLRLKASLIVDTAQCWSTHHFA
CLVGYGASAICPYLALESVRQWWLDEKTQKLMENGRLIDLPTALKNYRQS
VEAGLFKILSKMGISLLASYHGAQIFEAIGLGAELVEYAFAGTTSRVGGL
TIADVAGEVMVFHGMAFKKLENFGFVNYRPGGEYHMNSPEMSKSLHKAVA
AYDHYELYRQYLKDRPVTALRDLLDFNADQPAISLEEVESVESIVKRFCT
GGMSLGALSREAHETLAIAMNRLGAKSNSGEGGEDVVRYLTLDDVDSEGN
SPTLPHLHGLQNGDTANSAIKQIASGRFGVTPEYLMSGKQLEIKMAQGAK
PGEGGQLPGKKVSEYIAMLRRSKPGVTLISPPPHHDIYSIEDLAQLIYDL
HQINPEAQVSVKLVAEIGIGTIAAGVAKANADIIQISGHDGGTGASPLSS
IKHAGSPWELGVTEVHRVLMENQLRDRVLLRADGGLKTGWDVVMAALMGA
EEYGFGSIAMIAEGCIMARVCHTNNCPVGVATQQERLRQRFKGVPGQVVN
FFYFIAEEVRSLLAHLGYRSLDDIIGRTDLLKVRSDVQLSKTQNLTLDCL
LNLPDTKQNRQWLNHEPVHSNGPVLDDDILADPDIQEAINHQTTATKTYR
LVNTDRTVGTRLSGAIAKKYGNNGFEGNITLNFQGAAGQSFGAFNLDGMT
LHLQGEANDYVGKGMNGGEIVIVPHPQASFAPEDNVIIGNTCLYGATGGN
LYANGRAGERFAVRNSVGKAVIEGAGDHCCEYMTGGVIVVLGPVGRNVGA
GMTGGLAYFLDEVGDLPEKINPEIITLQRITASKGEEQLKSLITAHVEHT
GSPKGKAILANWSDYLGKFWQAVPPSEKDSPEANN
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 chain1ofe Chain B Residue 2508 [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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PDB1ofe The Active Conformation of Glutamate Synthase and its Binding to Ferredoxin
Resolution2.45 Å
Binding residue
(original residue number in PDB)		G874 M875 S876 E903 Q944 K966 K1034 G1064 T1065 G1066 D1105 G1107 G1128 S1129 M1132
Binding residue
(residue number reindexed from 1)		G852 M853 S854 E881 Q922 K944 K1012 G1042 T1043 G1044 D1083 G1085 G1106 S1107 M1110
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) C1 R31 F207 N227 G228 M475 E903 Q969 K972 Q978
Catalytic site (residue number reindexed from 1) C1 R31 F207 N227 G228 M475 E881 Q947 K950 Q956
Enzyme Commision number 1.4.7.1: glutamate synthase (ferredoxin).
Gene Ontology
Molecular Function
GO:0015930 glutamate synthase activity
GO:0016040 glutamate synthase (NADH) activity
GO:0016041 glutamate synthase (ferredoxin) 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:1ofe, PDBe:1ofe, PDBj:1ofe
PDBsum1ofe
PubMed12818206
UniProtP55038|GLTS_SYNY3 Ferredoxin-dependent glutamate synthase 2 (Gene Name=gltS)

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