Structure of PDB 1kyq Chain A Binding Site BS01

Receptor Information
>1kyq Chain A (length=262) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MVKSLQLAHQLKDKRILLIGGGEVGLTRLYKLMPTGCKLTLVSPDLHKSI
IPKFGKFIQKRFINPNWDPTKNEIYEYIRSDFKDEYLDLENENDAWYIIM
TCIPDHPESARIYHLCKERFGKQQLVNVADKPDLCDFYFGANLEIGDRLQ
ILISTNGLSPRFGALVRDEIRNLFTQMGDLALEDAVVKLGELRRGIRLLA
PDDKDVKYRMDWARRCTDLFGIQHCHNIDVKRLLDLFKVMFQEQNCSLQF
PPRERLLSEYCS
Ligand information
Ligand IDNAD
InChIInChI=1S/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1
InChIKeyBAWFJGJZGIEFAR-NNYOXOHSSA-N
SMILES
SoftwareSMILES
CACTVS 3.341NC(=O)c1ccc[n+](c1)[C@@H]2O[C@H](CO[P]([O-])(=O)O[P@](O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n4cnc5c(N)ncnc45)[C@@H](O)[C@H]2O
OpenEye OEToolkits 1.5.0c1cc(c[n+](c1)C2C(C(C(O2)COP(=O)([O-])OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N
CACTVS 3.341NC(=O)c1ccc[n+](c1)[CH]2O[CH](CO[P]([O-])(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O
OpenEye OEToolkits 1.5.0c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N
FormulaC21 H27 N7 O14 P2
NameNICOTINAMIDE-ADENINE-DINUCLEOTIDE
ChEMBLCHEMBL1234613
DrugBankDB14128
ZINC
PDB chain1kyq Chain A Residue 800 [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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PDB1kyq The structure of Saccharomyces cerevisiae Met8p, a bifunctional dehydrogenase and ferrochelatase.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		G21 G22 E23 V24 S43 P44 D45 D92 F93 I114 P115
Binding residue
(residue number reindexed from 1)		G21 G22 E23 V24 S43 P44 D45 D81 F82 I103 P104
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) D141
Catalytic site (residue number reindexed from 1) D130
Enzyme Commision number 1.3.1.76: precorrin-2 dehydrogenase.
4.99.1.4: sirohydrochlorin ferrochelatase.
Gene Ontology
Molecular Function
GO:0004325 ferrochelatase activity
GO:0016491 oxidoreductase activity
GO:0016829 lyase activity
GO:0043115 precorrin-2 dehydrogenase activity
GO:0051266 sirohydrochlorin ferrochelatase activity
Biological Process
GO:0000103 sulfate assimilation
GO:0006779 porphyrin-containing compound biosynthetic process
GO:0019354 siroheme biosynthetic process
Cellular Component
GO:0005575 cellular_component

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:1kyq, PDBe:1kyq, PDBj:1kyq
PDBsum1kyq
PubMed11980703
UniProtP15807|MET8_YEAST Siroheme biosynthesis protein MET8 (Gene Name=MET8)

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