Structure of PDB 3fwy Chain B Binding Site BS02

Receptor Information
>3fwy Chain B (length=268) Species: 272943 (Cereibacter sphaeroides 2.4.1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GAKVFAVYGKGGIGKSTTSSNLSAAFSILGKRVLQIGCDPKHDSTFTLTG
SLVPTVIDVLKDVDFHPEELRPEDFVFEGFNGVMCVEAGGPPAGTGCGGY
VVGQTVKLLKQHHLLDDTDVVIFDVLGDVVCGGFAAPLQHADQAVVVTAN
DFDSIYAMNRIIAAVQAKSKNYKVRLAGCVANRSRATDEVDRFCKETNFR
RLAHMPDLDAIRRSRLKKKTLFEMDEDQDVLAARAEYIRLAESLWRGLDP
IDPHSLPDRDIFELLGFD
Ligand information
Ligand IDADP
InChIInChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyXTWYTFMLZFPYCI-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N
FormulaC10 H15 N5 O10 P2
NameADENOSINE-5'-DIPHOSPHATE
ChEMBLCHEMBL14830
DrugBankDB16833
ZINCZINC000012360703
PDB chain3fwy Chain B Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3fwy Crystal Structure of the L Protein of Rhodobacter sphaeroides Light-Independent Protochlorophyllide Reductase with MgADP Bound: A Homologue of the Nitrogenase Fe Protein.
Resolution1.63 Å
Binding residue
(original residue number in PDB)		G41 G43 K44 S45 T46 K70 N211 R212 P235 D236 L237 I240
Binding residue
(residue number reindexed from 1)		G12 G14 K15 S16 T17 K41 N182 R183 P206 D207 L208 I211
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) K39 K44 K70 D157
Catalytic site (residue number reindexed from 1) K10 K15 K41 D128
Enzyme Commision number 1.3.7.7: ferredoxin:protochlorophyllide reductase (ATP-dependent).
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0016491 oxidoreductase activity
GO:0016636 oxidoreductase activity, acting on the CH-CH group of donors, iron-sulfur protein as acceptor
GO:0016730 oxidoreductase activity, acting on iron-sulfur proteins as donors
GO:0046872 metal ion binding
GO:0051539 4 iron, 4 sulfur cluster binding
Biological Process
GO:0015979 photosynthesis
GO:0015995 chlorophyll biosynthetic process
GO:0019685 photosynthesis, dark reaction
GO:0030494 bacteriochlorophyll biosynthetic process
GO:0036070 light-independent bacteriochlorophyll biosynthetic process

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Molecular Function
View graph for
Biological Process
External links
PDB RCSB:3fwy, PDBe:3fwy, PDBj:3fwy
PDBsum3fwy
PubMed19006326
UniProtQ9RFD6|BCHL_CERS4 Light-independent protochlorophyllide reductase iron-sulfur ATP-binding protein (Gene Name=bchL)

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