Structure of PDB 6l1h Chain B Binding Site BS01

Receptor Information
>6l1h Chain B (length=305) Species: 197221 (Thermosynechococcus vestitus BP-1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PRPTVIITGASSGVGLYATKALANRGWHVIMACRNLEKAEQAAKNLQIPP
EAYTILHLDLSSLASVRGFVESFRALNRPLRALVCNAAVYYPLLKEPIYS
VDGYEITVATNHLGHFLLINLLLEDLKNSPESDKRLVILGTVTANRPDLG
NLEGFEKGFKKPIAMINGKPFKSGKAYKDSKLCNMLTARELHRRFHESTG
IVFNSLYPGCVADTPLFRHHFPLFQKLFPLFQKKITGGYVSQELAGERVA
MVVADPEFRQSGVHWSWGNRQKEGRKAFVQELSAEASDEQKARRLWELSE
KLVGL
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 chain6l1h Chain B 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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PDB6l1h Crystal structures of cyanobacterial light-dependent protochlorophyllide oxidoreductase.
Resolution2.409 Å
Binding residue
(original residue number in PDB)		G13 S15 S16 G17 R38 K42 L62 D63 L64 N90 A91 A92 V93 T114 G144 Y193 K197 Y223 V227 T230 P231 L232 R234
Binding residue
(residue number reindexed from 1)		G9 S11 S12 G13 R34 K38 L58 D59 L60 N86 A87 A88 V89 T110 G140 Y177 K181 Y207 V211 T214 P215 L216 R218
Annotation score4
Enzymatic activity
Enzyme Commision number 1.3.1.33: protochlorophyllide reductase.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0016491 oxidoreductase activity
GO:0016630 protochlorophyllide reductase activity
GO:0046872 metal ion binding
Biological Process
GO:0015979 photosynthesis
GO:0015995 chlorophyll biosynthetic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:6l1h, PDBe:6l1h, PDBj:6l1h
PDBsum6l1h
PubMed32234783
UniProtQ8DLC1

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