Structure of PDB 3vo1 Chain B Binding Site BS01

Receptor Information
>3vo1 Chain B (length=295) Species: 4577 (Zea mays) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SKKQEEGLVTNKYKPKEPYVGRCLLNTRITGDQAPGETWHMVFSTEGEVP
YREGQSIGVIADGEDKNGKPHKLRLYSIASSALGDFGDSKTVSLCVKRLV
YTNDQGEVVKGVCSNFLCDLKPGAEVKITGPVGKEMLMPKDPNATIIMLA
TGTGIAPFRSFLWKMFFEEHEDYKYTGLAWLFLGVPTSDTLLYKEELEKM
KEMAPDNFRLDFAVSREQTNAAGEKMYIQTRMAEYKEELWELLKKDNTYV
YMCGLKGMEKGIDDIMLDLAAKDGINWLDYKKQLKKSEQWNVEVY
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 chain3vo1 Chain B Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB3vo1 N-terminal structure of maize ferredoxin:NADP+ reductase determines recruitment into different thylakoid membrane complexes
Resolution2.0 Å
Binding residue
(original residue number in PDB)		R93 L94 Y95 S96 C114 Y120 G130 V131 C132 S133 T172 E312 Y314
Binding residue
(residue number reindexed from 1)		R74 L75 Y76 S77 C95 Y101 G111 V112 C113 S114 T153 E293 Y295
Annotation score2
Enzymatic activity
Catalytic site (original residue number in PDB) Y95 S96 C272 E312 Y314
Catalytic site (residue number reindexed from 1) Y76 S77 C253 E293 Y295
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:3vo1, PDBe:3vo1, PDBj:3vo1
PDBsum3vo1
PubMed22805436
UniProtQ9SLP5

[Back to BioLiP]