Structure of PDB 7mft Chain I Binding Site BS01

Receptor Information
>7mft Chain I (length=490) Species: 535026 (Bacillus subtilis subsp. subtilis NCIB 3610 = ATCC 6051 = DSM 10) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KPTGFMEIKREKPAERDPLTRLKDWKEYSAPFSEEASKRQGARCMDCGTP
FCQIGADINGFTSGCPIYNLIPEWNGLVYRGRWKEALERLLKTNNFPEFT
GRVCPAPCEGSCTLAISDPAVSIKNIERTIIDKGFENGWIQPRIPKKRTG
KKVAIVGSGPAGLASADQLNQAGHSVTVFERADRAGGLLTYGIPNMKLEK
GIVERRIKLLTQEGIDFVTNTEIGVDITADELKEQFDAVILCTGAQKQRD
LLIEGRDSKGVHYAMDYLTLATKSYLDSNFKDKQFIDAKGKDVIVIGGGD
TGADCVATALRQKAKSVHQFGKHPKLPPARTNDNMWPEQPHVFTLEYAYE
EAEAKFGRDPREYSIQTTKMVADKNGKLKELHTIQMEKVKNEHGKYEFRE
LPGTEKVWPAQLVFIAIGFEGTEQPLLKQFGVNSVNNKISAAYGDYQTNI
DGVFAAGDARRGQSLIVWAINEGREVAREVDRYLMGSSVL
Ligand information
Ligand IDFAD
InChIInChI=1S/C27H33N9O15P2/c1-10-3-12-13(4-11(10)2)35(24-18(32-12)25(42)34-27(43)33-24)5-14(37)19(39)15(38)6-48-52(44,45)51-53(46,47)49-7-16-20(40)21(41)26(50-16)36-9-31-17-22(28)29-8-30-23(17)36/h3-4,8-9,14-16,19-21,26,37-41H,5-7H2,1-2H3,(H,44,45)(H,46,47)(H2,28,29,30)(H,34,42,43)/t14-,15+,16+,19-,20+,21+,26+/m0/s1
InChIKeyVWWQXMAJTJZDQX-UYBVJOGSSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[C@H](O)[C@H](O)[C@H](O)CO[P@](O)(=O)O[P@@](O)(=O)OC[C@H]4O[C@H]([C@H](O)[C@@H]4O)n5cnc6c(N)ncnc56)c2cc1C
OpenEye OEToolkits 1.5.0Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)n5cnc6c5ncnc6N)O)O)O)O)O
OpenEye OEToolkits 1.5.0Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O
CACTVS 3.341Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[CH](O)[CH](O)[CH](O)CO[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56)c2cc1C
ACDLabs 10.04O=C2C3=Nc1cc(c(cc1N(C3=NC(=O)N2)CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC6OC(n5cnc4c(ncnc45)N)C(O)C6O)C)C
FormulaC27 H33 N9 O15 P2
NameFLAVIN-ADENINE DINUCLEOTIDE
ChEMBLCHEMBL1232653
DrugBankDB03147
ZINCZINC000008215434
PDB chain7mft Chain I Residue 601 [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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PDB7mft A counter-enzyme complex regulates glutamate metabolism in Bacillus subtilis.
Resolution3.9 Å
Binding residue
(original residue number in PDB)		V105 G159 G161 P162 A163 E182 R183 G189 L190 K199 I225 T245 G246 M267 D302 F421 D460 S466 L467 I468
Binding residue
(residue number reindexed from 1)		V103 G157 G159 P160 A161 E180 R181 G187 L188 K197 I223 T243 G244 M265 D300 F419 D458 S464 L465 I466
Annotation score2
Enzymatic activity
Enzyme Commision number 1.4.1.13: glutamate synthase (NADPH).
Gene Ontology
Molecular Function
GO:0004355 glutamate synthase (NADPH) activity
GO:0016491 oxidoreductase activity
GO:0016639 oxidoreductase activity, acting on the CH-NH2 group of donors, NAD or NADP as acceptor
GO:0051536 iron-sulfur cluster binding
Biological Process
GO:0006537 glutamate biosynthetic process
GO:0097054 L-glutamate biosynthetic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:7mft, PDBe:7mft, PDBj:7mft
PDBsum7mft
PubMed34931064
UniProtO34399|GLTB_BACSU Glutamate synthase [NADPH] small chain (Gene Name=gltB)

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