Structure of PDB 1lc3 Chain A Binding Site BS04

Receptor Information
>1lc3 Chain A (length=292) Species: 10116 (Rattus norvegicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MITNSGKFGVVVVGVGRAGSVRLRDLKDPRSAAFLNLIGFVSRRELGSLD
EVRQISLEDALRSQEIDVAYICSESSSHEDYIRQFLQAGKHVLVEYPMTL
SFAAAQELWELAAQKGRVLHEEHVELLMEEFEFLRREVLGKELLKGSLRF
TASPLEEERFGFPAFSGISRLTWLVSLFGELSLISATLEERKEDQYMKMT
VQLETQNKGLLSWIEEKGPGLKRNRYVNFQFTSGSLEEVPSVGVNKNIFL
KDQDIFVQKLLDQVSAEDLAAEKKRIMHCLGLASDIQKLCHQ
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 chain1lc3 Chain A Residue 900 [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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PDB1lc3 Crystal structure of a biliverdin IXalpha reductase enzyme-cofactor complex.
Resolution1.5 Å
Binding residue
(original residue number in PDB)		R18 A19 S74 S76 H79 E96 Y97 E123 L156 F161 S167
Binding residue
(residue number reindexed from 1)		R17 A18 S73 S75 H78 E95 Y96 E122 L155 F160 S166
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) E96 Y97 E123 E126 S170 R171
Catalytic site (residue number reindexed from 1) E95 Y96 E122 E125 S169 R170
Enzyme Commision number 1.3.1.24: biliverdin reductase.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0003824 catalytic activity
GO:0004074 biliverdin reductase [NAD(P)+] activity
GO:0008270 zinc ion binding
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
GO:0106276 biliberdin reductase (NAD+) activity
GO:0106277 biliverdin reductase (NADP+) activity
Biological Process
GO:0042167 heme catabolic process
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1lc3, PDBe:1lc3, PDBj:1lc3
PDBsum1lc3
PubMed12079357
UniProtP46844|BIEA_RAT Biliverdin reductase A (Gene Name=Blvra)

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