Structure of PDB 5vw5 Chain A Binding Site BS02

Receptor Information
>5vw5 Chain A (length=309) Species: 4577 (Zea mays) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SKVSVAPLHLESAKEPPLNTYKPKEPFTATIVSVESLVGPKAPGETCHIV
IDHGGNVPYWEGQSYGVIPPGENPKKPGAPQNVRLYSIASTRYGDNFDGR
TGSLCVRRAVYYDPETGKEDPSKNGVCSNFLCNSKPGDKIQLTGPSGKIM
LLPEEDPNATHIMIATGTGVAPFRGYLRRMFMEDVPNYRFGGLAWLFLGV
ANSDSLLYDEEFTSYLKQYPDNFRYDKALSREQKNRSGGKMYVQDKIEEY
SDEIFKLLDGGAHIYFCGLKGMMPGIQDTLKKVAERRGESWDQKLAQLKK
NKQWHVEVA
Ligand information
Ligand IDNCA
InChIInChI=1S/C6H6N2O/c7-6(9)5-2-1-3-8-4-5/h1-4H,(H2,7,9)
InChIKeyDFPAKSUCGFBDDF-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc(cnc1)C(=O)N
CACTVS 3.341NC(=O)c1cccnc1
ACDLabs 10.04O=C(N)c1cccnc1
FormulaC6 H6 N2 O
NameNICOTINAMIDE
ChEMBLCHEMBL1140
DrugBankDB02701
ZINCZINC000000005878
PDB chain5vw5 Chain A Residue 403 [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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PDB5vw5 High-resolution studies of hydride transfer in the ferredoxin:NADP(+) reductase superfamily.
Resolution1.953 Å
Binding residue
(original residue number in PDB)
S94 T175 G176 C274 G275 E314 V315
Binding residue
(residue number reindexed from 1)
S87 T168 G169 C267 G268 E307 V308
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) Y93 S94 F273 C274 E314
Catalytic site (residue number reindexed from 1) Y86 S87 F266 C267 E307
Enzyme Commision number 1.18.1.2: ferredoxin--NADP(+) reductase.
Gene Ontology
Molecular Function
GO:0016491 oxidoreductase activity

View graph for
Molecular Function
External links
PDB RCSB:5vw5, PDBe:5vw5, PDBj:5vw5
PDBsum5vw5
PubMed28783258
UniProtB4G043

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