Structure of PDB 7jz2 Chain A Binding Site BS01

Receptor Information
>7jz2 Chain A (length=481) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKLPVREFDAVVIGAGGAGMRAALQISQSGQTCALLSKVFPTRSHTVSAQ
GGITVALGNTHEDNWEWHMYDTVKGSDYIGDQDAIEYMCKTGPEAILELE
HMGLPFSRLDDGRIYQRPFGGQSKNFGGEQAARTAAAADRTGHALLHTLY
QQNLKNHTTIFSEWYALDLVKNQDGAVVGCTALCIETGEVVYFKARATVL
ATGGAGRIYQSTTNAHINTGDGVGMAIRAGVPVQDMEMWQFHPPTCHYMM
GGIPTKVTGQALTVNEKGEDVVVPGLFAVGEIACVSVHGANRLGGNSLLD
LVVFGRAAGLHLQESIAEQGALRDASESDVEASLDRLNRWNNNRNGEDPV
AIRKALQECMQHNFSVFREGDAMAKGLEQLKVIRERLKNARLDDTSSEFN
TQRVECLELDNLMETAYATAVSANFRTESRGAHSRFDFPDRDDENWLCHS
LYLPESESMTRRSVNMEPKLRPAFPPKIRTY
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 chain7jz2 Chain A 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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PDB7jz2 A 'Build and Retrieve' methodology to simultaneously solve cryo-EM structures of membrane proteins.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		I13 G14 A15 G16 S37 K38 S44 H45 T46 S48 Q50 G51 A166 A201 T202 T213 N214 D221 H354 E388 G402 S404 L408
Binding residue
(residue number reindexed from 1)		I13 G14 A15 G16 S37 K38 S44 H45 T46 S48 Q50 G51 A166 A201 T202 T213 N214 D221 H247 E281 G295 S297 L301
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) F119 Q240 H242 H354 Y355 R399
Catalytic site (residue number reindexed from 1) F119 Q240 H242 H247 Y248 R292
Enzyme Commision number 1.3.5.1: succinate dehydrogenase.
Gene Ontology
Molecular Function
GO:0000104 succinate dehydrogenase activity
GO:0005515 protein binding
GO:0008177 succinate dehydrogenase (quinone) activity
GO:0009055 electron transfer activity
GO:0016491 oxidoreductase activity
GO:0016627 oxidoreductase activity, acting on the CH-CH group of donors
GO:0050660 flavin adenine dinucleotide binding
Biological Process
GO:0006099 tricarboxylic acid cycle
GO:0009060 aerobic respiration
GO:0009061 anaerobic respiration
GO:0019646 aerobic electron transport chain
GO:0022900 electron transport chain
Cellular Component
GO:0005886 plasma membrane
GO:0016020 membrane
GO:0045273 respiratory chain complex II (succinate dehydrogenase)

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7jz2, PDBe:7jz2, PDBj:7jz2
PDBsum7jz2
PubMed33408407
UniProtP0AC41|SDHA_ECOLI Succinate dehydrogenase flavoprotein subunit (Gene Name=sdhA)

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