Structure of PDB 6l1g Chain A Binding Site BS01

Receptor Information
>6l1g Chain A (length=301) Species: 1111708 (Synechocystis sp. PCC 6803 substr. Kazusa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKPTVIITGASSGVGLYGAKALIDKGWHVIMACRNLDKTQKVADELGFPK
DSYTIIKLDLGYLDSVRRFVAQFRELGRPLKALVCNAAVYFPLLDEPLWS
ADDYELSVATNHLGHFLLCNLLLEDLKACPDADKRLIILGTVTAPIPAPP
DLGNFEGFEAGFKKPIAMINNKKFKSGKAYKDSKLCNMLTTRELHRRFHQ
ETGIVFNSLYPGCVADTPLFRNHYSLFRTIFPWFQKNVTKGYVSQELAGE
RVAMVVADDKFKDSGVHWSWEAFVQELSEQGSDAQKAQRMWDLSEKLVGL
V
Ligand information
Ligand IDNDP
InChIInChI=1S/C21H30N7O17P3/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32/h1,3-4,7-8,10-11,13-16,20-21,29-31H,2,5-6H2,(H2,23,32)(H,36,37)(H,38,39)(H2,22,24,25)(H2,33,34,35)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1
InChIKeyACFIXJIJDZMPPO-NNYOXOHSSA-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)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N
CACTVS 3.341NC(=O)C1=CN(C=CC1)[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O[P](O)(O)=O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O
CACTVS 3.341NC(=O)C1=CN(C=CC1)[C@@H]2O[C@H](CO[P@@](O)(=O)O[P@](O)(=O)OC[C@H]3O[C@H]([C@H](O[P](O)(O)=O)[C@@H]3O)n4cnc5c(N)ncnc45)[C@@H](O)[C@H]2O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N
FormulaC21 H30 N7 O17 P3
NameNADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
ChEMBLCHEMBL407009
DrugBankDB02338
ZINCZINC000008215411
PDB chain6l1g Chain A Residue 400 [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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PDB6l1g Crystal structures of cyanobacterial light-dependent protochlorophyllide oxidoreductase.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		G13 S15 S16 G17 V18 R38 K42 L62 D63 L64 N90 A91 A92 V93 T114 Y193 K197 Y223 V227 T230 L232
Binding residue
(residue number reindexed from 1)		G9 S11 S12 G13 V14 R34 K38 L58 D59 L60 N86 A87 A88 V89 T110 Y180 K184 Y210 V214 T217 L219
Annotation score4
Enzymatic activity
Enzyme Commision number 1.3.1.33: protochlorophyllide reductase.
Gene Ontology
Molecular Function
GO:0016491 oxidoreductase activity
GO:0016630 protochlorophyllide reductase activity
Biological Process
GO:0015979 photosynthesis
GO:0015995 chlorophyll biosynthetic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:6l1g, PDBe:6l1g, PDBj:6l1g
PDBsum6l1g
PubMed32234783
UniProtQ59987|POR_SYNY3 Light-dependent protochlorophyllide reductase (Gene Name=por)

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