Structure of PDB 5vw5 Chain A Binding Site BS02
Receptor Information
>5vw5 Chain A (length=309) Species:
4577
(Zea mays) [
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SKVSVAPLHLESAKEPPLNTYKPKEPFTATIVSVESLVGPKAPGETCHIV
IDHGGNVPYWEGQSYGVIPPGENPKKPGAPQNVRLYSIASTRYGDNFDGR
TGSLCVRRAVYYDPETGKEDPSKNGVCSNFLCNSKPGDKIQLTGPSGKIM
LLPEEDPNATHIMIATGTGVAPFRGYLRRMFMEDVPNYRFGGLAWLFLGV
ANSDSLLYDEEFTSYLKQYPDNFRYDKALSREQKNRSGGKMYVQDKIEEY
SDEIFKLLDGGAHIYFCGLKGMMPGIQDTLKKVAERRGESWDQKLAQLKK
NKQWHVEVA
Ligand information
Ligand ID
NCA
InChI
InChI=1S/C6H6N2O/c7-6(9)5-2-1-3-8-4-5/h1-4H,(H2,7,9)
InChIKey
DFPAKSUCGFBDDF-UHFFFAOYSA-N
SMILES
Software
SMILES
OpenEye OEToolkits 1.5.0
c1cc(cnc1)C(=O)N
CACTVS 3.341
NC(=O)c1cccnc1
ACDLabs 10.04
O=C(N)c1cccnc1
Formula
C6 H6 N2 O
Name
NICOTINAMIDE
ChEMBL
CHEMBL1140
DrugBank
DB02701
ZINC
ZINC000000005878
PDB chain
5vw5 Chain A Residue 403 [
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Receptor-Ligand Complex Structure
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PDB
5vw5
High-resolution studies of hydride transfer in the ferredoxin:NADP(+) reductase superfamily.
Resolution
1.953 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 score
1
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
PDBsum
5vw5
PubMed
28783258
UniProt
B4G043
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